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Phenoxyacetic acid derivatives

Organic compounds that are directly derived from phenoxyacetic acid; phenoxyacetic acid consists of a phenoxy group with a carboxylic acid group.

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1

4-tert-Butylphenoxyacetic acid, 98%

CAS: 1798-04-5 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.257 MDL Number: MFCD00021758 InChI Key: FBIGAJNVRFKBJL-UHFFFAOYSA-N Synonym: 4-tert-butylphenoxyacetic acid,4-tert-butylphenoxy acetic acid,4-tert-butyl-phenoxy-acetic acid,2-4-tert-butylphenoxy acetic acid,p-tert-butylphenoxy acetic acid,p-t-butylphenoxyacetic acid,2-4-tert-butyl phenoxy acetic acid,acetic acid, 4-1,1-dimethylethyl phenoxy,acetic acid, 2-4-1,1-dimethylethyl phenoxy PubChem CID: 15718 IUPAC Name: 2-(4-tert-butylphenoxy)acetic acid SMILES: CC(C)(C)C1=CC=C(C=C1)OCC(=O)O

PubChem CID 15718
CAS 1798-04-5
Molecular Weight (g/mol) 208.257
MDL Number MFCD00021758
SMILES CC(C)(C)C1=CC=C(C=C1)OCC(=O)O
Synonym 4-tert-butylphenoxyacetic acid,4-tert-butylphenoxy acetic acid,4-tert-butyl-phenoxy-acetic acid,2-4-tert-butylphenoxy acetic acid,p-tert-butylphenoxy acetic acid,p-t-butylphenoxyacetic acid,2-4-tert-butyl phenoxy acetic acid,acetic acid, 4-1,1-dimethylethyl phenoxy,acetic acid, 2-4-1,1-dimethylethyl phenoxy
IUPAC Name 2-(4-tert-butylphenoxy)acetic acid
InChI Key FBIGAJNVRFKBJL-UHFFFAOYSA-N
Molecular Formula C12H16O3
2

O(1),O(3)-Bis(carboxymethyl)-O(2),O(4)-dimethyl-p-tert-butylcalix[4]arene

CAS: 136157-98-7 Molecular Formula: C50H64O8 Molecular Weight (g/mol): 793.054 MDL Number: MFCD00798565 InChI Key: GRSQCGICFHAMOA-UHFFFAOYSA-N Synonym: o 1 ,o 3-bis carboxymethyl-o 2 ,o 4-dimethyl-p-tert-butylcalix 4 arene,o 1 ,o 3-bis carboxymethyl-o 2 ,o 4-dimethyl-p-t-butylcalix 4 arene PubChem CID: 15243456 SMILES: CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3OCC(=O)O)CC4=CC(=CC(=C4OC)CC5=C(C(=CC(=C5)C(C)(C)C)C2)OCC(=O)O)C(C)(C)C)C(C)(C)C)OC

PubChem CID 15243456
CAS 136157-98-7
Molecular Weight (g/mol) 793.054
MDL Number MFCD00798565
SMILES CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3OCC(=O)O)CC4=CC(=CC(=C4OC)CC5=C(C(=CC(=C5)C(C)(C)C)C2)OCC(=O)O)C(C)(C)C)C(C)(C)C)OC
Synonym o 1 ,o 3-bis carboxymethyl-o 2 ,o 4-dimethyl-p-tert-butylcalix 4 arene,o 1 ,o 3-bis carboxymethyl-o 2 ,o 4-dimethyl-p-t-butylcalix 4 arene
InChI Key GRSQCGICFHAMOA-UHFFFAOYSA-N
Molecular Formula C50H64O8
3

O(1),O(3)-Bis(ethoxycarbonylmethyl)-p-tert-butylcalix[4]arene, Thermo Scientific™

CAS: 97600-49-2 Molecular Formula: C52H68O8 Molecular Weight (g/mol): 821.108 MDL Number: MFCD00798575 InChI Key: RCVLXPWJVXHCMD-UHFFFAOYSA-N Synonym: o 1 ,o 3-bis ethoxycarbonylmethyl-p-tert-butylcalix 4 arene,o 1 ,o 3-bis carbethoxymethyl-p-tert-butylcalix 4 arene,2,6-5-tert-butyl-2-hydroxy-1,3-phenylene bis methylene 5-tert-butyl-2-ethoxycarbonylmethoxy-1,3-phenylene methylene-4-tert-butylphenol,ethyl 2-5,11,17,23-tetra-tert-butyl-27-2-ethoxy-2-oxoethoxy-26,28-dihydroxypentacyclo 19.3.1.1?,?.1?,??.1??,?? octacosa-1 25 ,3 28 ,4,6,9,11,13 27 ,15 26 ,16,18,21,23-dodecaen-25-yl oxy acetate,ethyl 2-5,11,17,23-tetra-tert-butyl-27-2-ethoxy-2-oxoethoxy-26,28-dihydroxypentacyclo 19.3.1.1_,?.1?,__.1_?,_? octacosa-1 25 ,3 28 ,4,6,9 27 ,10,12,15 26 ,16,18,21,23-dodecaen-25-yl oxy acetate PubChem CID: 10887342 SMILES: CCOC(=O)COC1=C2CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)C(C)(C)C)CC5=C(C(=CC(=C5)C(C)(C)C)CC1=CC(=C2)C(C)(C)C)O)OCC(=O)OCC)C(C)(C)C

PubChem CID 10887342
CAS 97600-49-2
Molecular Weight (g/mol) 821.108
MDL Number MFCD00798575
SMILES CCOC(=O)COC1=C2CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)C(C)(C)C)CC5=C(C(=CC(=C5)C(C)(C)C)CC1=CC(=C2)C(C)(C)C)O)OCC(=O)OCC)C(C)(C)C
Synonym o 1 ,o 3-bis ethoxycarbonylmethyl-p-tert-butylcalix 4 arene,o 1 ,o 3-bis carbethoxymethyl-p-tert-butylcalix 4 arene,2,6-5-tert-butyl-2-hydroxy-1,3-phenylene bis methylene 5-tert-butyl-2-ethoxycarbonylmethoxy-1,3-phenylene methylene-4-tert-butylphenol,ethyl 2-5,11,17,23-tetra-tert-butyl-27-2-ethoxy-2-oxoethoxy-26,28-dihydroxypentacyclo 19.3.1.1?,?.1?,??.1??,?? octacosa-1 25 ,3 28 ,4,6,9,11,13 27 ,15 26 ,16,18,21,23-dodecaen-25-yl oxy acetate,ethyl 2-5,11,17,23-tetra-tert-butyl-27-2-ethoxy-2-oxoethoxy-26,28-dihydroxypentacyclo 19.3.1.1_,?.1?,__.1_?,_? octacosa-1 25 ,3 28 ,4,6,9 27 ,10,12,15 26 ,16,18,21,23-dodecaen-25-yl oxy acetate
InChI Key RCVLXPWJVXHCMD-UHFFFAOYSA-N
Molecular Formula C52H68O8
4

O(1),O(3)-Bis(ethoxycarbonylmethyl)-O(2),O(4)-dimethyl-p-tert-butylcalix[4]arene, Thermo Scientific™

CAS: 149775-71-3 Molecular Formula: C54H72O8 Molecular Weight (g/mol): 849.16 MDL Number: MFCD00798577 InChI Key: YKBOZEHACZIDBO-UHFFFAOYSA-N Synonym: o 1 ,o 3-bis ethoxycarbonylmethyl-o 2 ,o 4-dimethyl-p-tert-butylcalix 4 arene,o 1 ,o 3-bis ethoxycarbonylmethyl-o 2 ,o 4-dimethyl-p-ter,o 1 ,o 3-bis carbethoxymethyl-o 2 ,o 4-dimethyl-p-tert-butylcalix 4 arene,2,2-dimethoxy-2',2'-bis 2-oxo-2-ethoxyethoxy 1,3'-methylene-1',3-methylene-1,3'-methylene-1',3-methylenetetrakis 5-tert-butylbenzene,ethyl 2-5,11,17,23-tetra-tert-butyl-27-2-ethoxy-2-oxoethoxy-26,28-dimethoxypentacyclo 19.3.1.1_,?.1?,__.1_?,_? octacosa-1 25 ,3 28 ,4,6,9 27 ,10,12,15 26 ,16,18,21,23-dodecaen-25-yl oxy acetate PubChem CID: 73995054 IUPAC Name: ethyl 2-{[5,11,17,23-tetra-tert-butyl-27-(2-ethoxy-2-oxoethoxy)-26,28-dimethoxypentacyclo[19.3.1.1³,⁷.1⁹,¹³.1¹⁵,¹⁹]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaen-25-yl]oxy}acetate SMILES: CCOC(=O)COC1=C2CC3=CC(=CC(CC4=C(OCC(=O)OCC)C(CC5=C(OC)C(CC1=CC(=C2)C(C)(C)C)=CC(=C5)C(C)(C)C)=CC(=C4)C(C)(C)C)=C3OC)C(C)(C)C

PubChem CID 73995054
CAS 149775-71-3
Molecular Weight (g/mol) 849.16
MDL Number MFCD00798577
SMILES CCOC(=O)COC1=C2CC3=CC(=CC(CC4=C(OCC(=O)OCC)C(CC5=C(OC)C(CC1=CC(=C2)C(C)(C)C)=CC(=C5)C(C)(C)C)=CC(=C4)C(C)(C)C)=C3OC)C(C)(C)C
Synonym o 1 ,o 3-bis ethoxycarbonylmethyl-o 2 ,o 4-dimethyl-p-tert-butylcalix 4 arene,o 1 ,o 3-bis ethoxycarbonylmethyl-o 2 ,o 4-dimethyl-p-ter,o 1 ,o 3-bis carbethoxymethyl-o 2 ,o 4-dimethyl-p-tert-butylcalix 4 arene,2,2-dimethoxy-2',2'-bis 2-oxo-2-ethoxyethoxy 1,3'-methylene-1',3-methylene-1,3'-methylene-1',3-methylenetetrakis 5-tert-butylbenzene,ethyl 2-5,11,17,23-tetra-tert-butyl-27-2-ethoxy-2-oxoethoxy-26,28-dimethoxypentacyclo 19.3.1.1_,?.1?,__.1_?,_? octacosa-1 25 ,3 28 ,4,6,9 27 ,10,12,15 26 ,16,18,21,23-dodecaen-25-yl oxy acetate
IUPAC Name ethyl 2-{[5,11,17,23-tetra-tert-butyl-27-(2-ethoxy-2-oxoethoxy)-26,28-dimethoxypentacyclo[19.3.1.1³,⁷.1⁹,¹³.1¹⁵,¹⁹]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaen-25-yl]oxy}acetate
InChI Key YKBOZEHACZIDBO-UHFFFAOYSA-N
Molecular Formula C54H72O8