1-ethoxy-2-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzene-1,3-disulfonic acid;2-methylbenzenesulfonic acid;5-methyl-1,3-benzodioxole;2-methylbenzoic acid;4-methylbenzoic acid;17-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene;2-methylphenol;3-methylphenol;4-methylphenol;2-(3-methylphenoxy)acetic acid;2-(4-methylphenoxy)acetic acid;2-(4-methylphenyl)acetic acid;2-(4-methylphenyl)propanoic acid

C144H170O37S3 — CID 160869981

IUPAC1-ethoxy-2-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzene-1,3-disulfonic acid;2-methylbenzenesulfonic acid;5-methyl-1,3-benzodioxole;2-methylbenzoic acid;4-methylbenzoic acid;17-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene;2-methylphenol;3-methylphenol;4-methylphenol;2-(3-methylphenoxy)acetic acid;2-(4-methylphenoxy)acetic acid;2-(4-methylphenyl)acetic acid;2-(4-methylphenyl)propanoic acid
SMILESCCOc1ccccc1C.COc1ccc(C)cc1.COc1cccc(C)c1.COc1ccccc1C.Cc1ccc(C(=O)O)cc1.Cc1ccc(C(C)C(=O)O)cc1.Cc1ccc(CC(=O)O)cc1.Cc1ccc(O)cc1.Cc1ccc(OCC(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1S(=O)(=O)O.Cc1ccc2c(c1)OCCOCCOCCOCCO2.Cc1ccc2c(c1)OCO2.Cc1cccc(O)c1.Cc1cccc(OCC(=O)O)c1.Cc1ccccc1C(=O)O.Cc1ccccc1O.Cc1ccccc1S(=O)(=O)O
InChIInChI=1S/C15H22O5.C10H12O2.2C9H10O3.C9H10O2.C9H12O.3C8H8O2.3C8H10O.C7H8O6S2.C7H8O3S.3C7H8O/c1-13-2-3-14-15(12-13)20-11-9-18-7-5-16-4-6-17-8-10-19-14;1-7-3-5-9(6-4-7)8(2)10(11)12;1-7-2-4-8(5-3-7)12-6-9(10)11;1-7-3-2-4-8(5-7)12-6-9(10)11;1-7-2-4-8(5-3-7)6-9(10)11;1-3-10-9-7-5-4-6-8(9)2;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-4-7(5-3-6)8(9)10;1-6-4-2-3-5-7(6)8(9)10;1-7-3-5-8(9-2)6-4-7;1-7-4-3-5-8(6-7)9-2;1-7-5-3-4-6-8(7)9-2;1-5-2-3-6(14(8,9)10)4-7(5)15(11,12)13;1-6-4-2-3-5-7(6)11(8,9)10;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8/h2-3,12H,4-11H2,1H3;3-6,8H,1-2H3,(H,11,12);2*2-5H,6H2,1H3,(H,10,11);2-5H,6H2,1H3,(H,10,11);4-7H,3H2,1-2H3;2-4H,5H2,1H3;2*2-5H,1H3,(H,9,10);3*3-6H,1-2H3;2-4H,1H3,(H,8,9,10)(H,11,12,13);2-5H,1H3,(H,8,9,10);3*2-5,8H,1H3
InChIKeySLQAIDCRBIKDCN-UHFFFAOYSA-N
MW2589.11 g/mol
LogP28.88
Rot. Bonds20

About 1-ethoxy-2-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzene-1,3-disulfonic acid;2-methylbenzenesulfonic acid;5-methyl-1,3-benzodioxole;2-methylbenzoic acid;4-methylbenzoic acid;17-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene;2-methylphenol;3-methylphenol;4-methylphenol;2-(3-methylphenoxy)acetic acid;2-(4-methylphenoxy)acetic acid;2-(4-methylphenyl)acetic acid;2-(4-methylphenyl)propanoic acid

1-ethoxy-2-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzene-1,3-disulfonic acid;2-methylbenzenesulfonic acid;5-methyl-1,3-benzodioxole;2-methylbenzoic acid;4-methylbenzoic acid;17-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene;2-methylphenol;3-methylphenol;4-methylphenol;2-(3-methylphenoxy)acetic acid;2-(4-methylphenoxy)acetic acid;2-(4-methylphenyl)acetic acid;2-(4-methylphenyl)propanoic acid (PubChem CID 160869981) has the molecular formula C144H170O37S3 and a molecular weight of 2589.11 g/mol. Its IUPAC name is 1-ethoxy-2-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzene-1,3-disulfonic acid;2-methylbenzenesulfonic acid;5-methyl-1,3-benzodioxole;2-methylbenzoic acid;4-methylbenzoic acid;17-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene;2-methylphenol;3-methylphenol;4-methylphenol;2-(3-methylphenoxy)acetic acid;2-(4-methylphenoxy)acetic acid;2-(4-methylphenyl)acetic acid;2-(4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name1-ethoxy-2-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzene-1,3-disulfonic acid;2-methylbenzenesulfonic acid;5-methyl-1,3-benzodioxole;2-methylbenzoic acid;4-methylbenzoic acid;17-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene;2-methylphenol;3-methylphenol;4-methylphenol;2-(3-methylphenoxy)acetic acid;2-(4-methylphenoxy)acetic acid;2-(4-methylphenyl)acetic acid;2-(4-methylphenyl)propanoic acid
PubChem CID160869981
Molecular FormulaC144H170O37S3
Molecular Weight2589.11 g/mol
Exact Mass2587.06
IUPAC Name1-ethoxy-2-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzene-1,3-disulfonic acid;2-methylbenzenesulfonic acid;5-methyl-1,3-benzodioxole;2-methylbenzoic acid;4-methylbenzoic acid;17-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene;2-methylphenol;3-methylphenol;4-methylphenol;2-(3-methylphenoxy)acetic acid;2-(4-methylphenoxy)acetic acid;2-(4-methylphenyl)acetic acid;2-(4-methylphenyl)propanoic acid
SMILESCCOc1ccccc1C.COc1ccc(C)cc1.COc1cccc(C)c1.COc1ccccc1C.Cc1ccc(C(=O)O)cc1.Cc1ccc(C(C)C(=O)O)cc1.Cc1ccc(CC(=O)O)cc1.Cc1ccc(O)cc1.Cc1ccc(OCC(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1S(=O)(=O)O.Cc1ccc2c(c1)OCCOCCOCCOCCO2.Cc1ccc2c(c1)OCO2.Cc1cccc(O)c1.Cc1cccc(OCC(=O)O)c1.Cc1ccccc1C(=O)O.Cc1ccccc1O.Cc1ccccc1S(=O)(=O)O
InChIInChI=1S/C15H22O5.C10H12O2.2C9H10O3.C9H10O2.C9H12O.3C8H8O2.3C8H10O.C7H8O6S2.C7H8O3S.3C7H8O/c1-13-2-3-14-15(12-13)20-11-9-18-7-5-16-4-6-17-8-10-19-14;1-7-3-5-9(6-4-7)8(2)10(11)12;1-7-2-4-8(5-3-7)12-6-9(10)11;1-7-3-2-4-8(5-7)12-6-9(10)11;1-7-2-4-8(5-3-7)6-9(10)11;1-3-10-9-7-5-4-6-8(9)2;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-4-7(5-3-6)8(9)10;1-6-4-2-3-5-7(6)8(9)10;1-7-3-5-8(9-2)6-4-7;1-7-4-3-5-8(6-7)9-2;1-7-5-3-4-6-8(7)9-2;1-5-2-3-6(14(8,9)10)4-7(5)15(11,12)13;1-6-4-2-3-5-7(6)11(8,9)10;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8/h2-3,12H,4-11H2,1H3;3-6,8H,1-2H3,(H,11,12);2*2-5H,6H2,1H3,(H,10,11);2-5H,6H2,1H3,(H,10,11);4-7H,3H2,1-2H3;2-4H,5H2,1H3;2*2-5H,1H3,(H,9,10);3*3-6H,1-2H3;2-4H,1H3,(H,8,9,10)(H,11,12,13);2-5H,1H3,(H,8,9,10);3*2-5,8H,1H3
InChIKeySLQAIDCRBIKDCN-UHFFFAOYSA-N
XLogP28.88
TPSA567.59 Ų
H-Bond Donors12
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002589.11
LogP ≤ 528.88
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 1-ethoxy-2-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzene-1,3-disulfonic acid;2-methylbenzenesulfonic acid;5-methyl-1,3-benzodioxole;2-methylbenzoic acid;4-methylbenzoic acid;17-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene;2-methylphenol;3-methylphenol;4-methylphenol;2-(3-methylphenoxy)acetic acid;2-(4-methylphenoxy)acetic acid;2-(4-methylphenyl)acetic acid;2-(4-methylphenyl)propanoic acid with MolForge

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Related Compounds

Acetic acid;4-(benzenesulfonyloxy)benzoic acid;3-(1,3-benzodioxol-5-yl)propanoic acid;3-(2,6-difluorophenyl)propanoic acid;3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid;3-(4-fluorophenoxy)propanoic acid;3-(2-fluorophenyl)propanoic acid;2-hydroxyhexanoic acid;2-hydroxy-4-methylpentanoic acid;3-(2-hydroxyphenyl)propanoic acid;3-(2-methoxyphenyl)propanoic acid;2-methylhexanoic acid;2-methylpentanoic acid;3-(4-methylphenoxy)propanoic acid;4-(4-methylphenyl)sulfonyloxybenzoic acid;naphthalene;3-phenoxypropanoic acid;3-phenylpropanoic acid;prop-1-ene;4-(trifluoromethylsulfonyloxy)benzoic acid
CID 161260259
4-Butan-2-ylbenzene-1,2-diol;5-butan-2-yl-2-(1-ethoxyethoxy)phenol;1-butan-2-yl-4-(1-methoxyethoxy)benzene;1-butan-2-yl-4-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-2-phenylpropoxy]benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;5-phenyldibenzothiophen-5-ium;triphenylsulfanium
CID 157240387
4-Butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;1-[2-(4-butan-2-ylphenoxy)-2-phenylmethoxyethoxy]naphthalene;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;tris(3-methoxyphenyl)sulfanium;bromide
CID 157512400
1-Butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;3-butan-2-ylphenol;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-[2-[1-(3-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene;1-[(4-butan-2-ylphenoxy)methyl]naphthalene;(3-butan-2-ylphenyl) 2-(5-methylnaphthalen-1-yl)oxyacetate;triphenylsulfanium
CID 157813100
2-(6-Butan-2-ylnaphthalen-2-yl)oxycarbonylbenzenesulfonate;bis(4-butan-2-ylphenol);bis(2-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethoxy]-1,3-diphenylbenzene);3-[2-(4-butan-2-ylphenoxy)-2-oxoethoxy]carbonylbenzenesulfonate;bis(triphenylsulfanium)
CID 160543654
1-Butan-2-yl-4-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]benzene;1-butan-2-yl-4-(1-methoxy-2-phenylethoxy)benzene;1-butan-2-yl-4-[methoxy(phenyl)methoxy]benzene;tris(4-butan-2-ylphenol);4-[2-(4-butan-2-ylphenoxy)acetyl]oxy-3-methoxybenzenesulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;triphenylsulfanium
CID 160794518
Bis(1,2-bis[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene);ethane;1-(1-ethylcyclopentyl)oxy-3-propan-2-ylbenzene;4-hydroxybenzenesulfonic acid;6-hydroxynaphthalene-2-carboxylic acid;7-hydroxynaphthalene-2-sulfonic acid;8-hydroxynaphthalene-1-sulfonic acid;naphthalene-1,6-diol;naphthalene-1,7-diol;tris(4-propan-2-ylphenol)
CID 161296055

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzene-1,3-disulfonic acid;2-methylbenzenesulfonic acid;5-methyl-1,3-benzodioxole;2-methylbenzoic acid;4-methylbenzoic acid;17-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene;2-methylphenol;3-methylphenol;4-methylphenol;2-(3-methylphenoxy)acetic acid;2-(4-methylphenoxy)acetic acid;2-(4-methylphenyl)acetic acid;2-(4-methylphenyl)propanoic acid?
The IUPAC name of 1-ethoxy-2-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzene-1,3-disulfonic acid;2-methylbenzenesulfonic acid;5-methyl-1,3-benzodioxole;2-methylbenzoic acid;4-methylbenzoic acid;17-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene;2-methylphenol;3-methylphenol;4-methylphenol;2-(3-methylphenoxy)acetic acid;2-(4-methylphenoxy)acetic acid;2-(4-methylphenyl)acetic acid;2-(4-methylphenyl)propanoic acid (CID 160869981) is 1-ethoxy-2-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzene-1,3-disulfonic acid;2-methylbenzenesulfonic acid;5-methyl-1,3-benzodioxole;2-methylbenzoic acid;4-methylbenzoic acid;17-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene;2-methylphenol;3-methylphenol;4-methylphenol;2-(3-methylphenoxy)acetic acid;2-(4-methylphenoxy)acetic acid;2-(4-methylphenyl)acetic acid;2-(4-methylphenyl)propanoic acid.
What is the SMILES notation for 1-ethoxy-2-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzene-1,3-disulfonic acid;2-methylbenzenesulfonic acid;5-methyl-1,3-benzodioxole;2-methylbenzoic acid;4-methylbenzoic acid;17-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene;2-methylphenol;3-methylphenol;4-methylphenol;2-(3-methylphenoxy)acetic acid;2-(4-methylphenoxy)acetic acid;2-(4-methylphenyl)acetic acid;2-(4-methylphenyl)propanoic acid?
The canonical SMILES for 1-ethoxy-2-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzene-1,3-disulfonic acid;2-methylbenzenesulfonic acid;5-methyl-1,3-benzodioxole;2-methylbenzoic acid;4-methylbenzoic acid;17-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene;2-methylphenol;3-methylphenol;4-methylphenol;2-(3-methylphenoxy)acetic acid;2-(4-methylphenoxy)acetic acid;2-(4-methylphenyl)acetic acid;2-(4-methylphenyl)propanoic acid is CCOc1ccccc1C.COc1ccc(C)cc1.COc1cccc(C)c1.COc1ccccc1C.Cc1ccc(C(=O)O)cc1.Cc1ccc(C(C)C(=O)O)cc1.Cc1ccc(CC(=O)O)cc1.Cc1ccc(O)cc1.Cc1ccc(OCC(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1S(=O)(=O)O.Cc1ccc2c(c1)OCCOCCOCCOCCO2.Cc1ccc2c(c1)OCO2.Cc1cccc(O)c1.Cc1cccc(OCC(=O)O)c1.Cc1ccccc1C(=O)O.Cc1ccccc1O.Cc1ccccc1S(=O)(=O)O.
What is the InChIKey of 1-ethoxy-2-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzene-1,3-disulfonic acid;2-methylbenzenesulfonic acid;5-methyl-1,3-benzodioxole;2-methylbenzoic acid;4-methylbenzoic acid;17-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene;2-methylphenol;3-methylphenol;4-methylphenol;2-(3-methylphenoxy)acetic acid;2-(4-methylphenoxy)acetic acid;2-(4-methylphenyl)acetic acid;2-(4-methylphenyl)propanoic acid?
The InChIKey is SLQAIDCRBIKDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5.C10H12O2.2C9H10O3.C9H10O2.C9H12O.3C8H8O2.3C8H10O.C7H8O6S2.C7H8O3S.3C7H8O/c1-13-2-3-14-15(12-13)20-11-9-18-7-5-16-4-6-17-8-10-19-14;1-7-3-5-9(6-4-7)8(2)10(11)12;1-7-2-4-8(5-3-7)12-6-9(10)11;1-7-3-2-4-8(5-7)12-6-9(10)11;1-7-2-4-8(5-3-7)6-9(10)11;1-3-10-9-7-5-4-6-8(9)2;1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-4-7(5-3-6)8(9)10;1-6-4-2-3-5-7(6)8(9)10;1-7-3-5-8(9-2)6-4-7;1-7-4-3-5-8(6-7)9-2;1-7-5-3-4-6-8(7)9-2;1-5-2-3-6(14(8,9)10)4-7(5)15(11,12)13;1-6-4-2-3-5-7(6)11(8,9)10;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8/h2-3,12H,4-11H2,1H3;3-6,8H,1-2H3,(H,11,12);2*2-5H,6H2,1H3,(H,10,11);2-5H,6H2,1H3,(H,10,11);4-7H,3H2,1-2H3;2-4H,5H2,1H3;2*2-5H,1H3,(H,9,10);3*3-6H,1-2H3;2-4H,1H3,(H,8,9,10)(H,11,12,13);2-5H,1H3,(H,8,9,10);3*2-5,8H,1H3.
What are the key properties of 1-ethoxy-2-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzene-1,3-disulfonic acid;2-methylbenzenesulfonic acid;5-methyl-1,3-benzodioxole;2-methylbenzoic acid;4-methylbenzoic acid;17-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene;2-methylphenol;3-methylphenol;4-methylphenol;2-(3-methylphenoxy)acetic acid;2-(4-methylphenoxy)acetic acid;2-(4-methylphenyl)acetic acid;2-(4-methylphenyl)propanoic acid?
1-ethoxy-2-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzene-1,3-disulfonic acid;2-methylbenzenesulfonic acid;5-methyl-1,3-benzodioxole;2-methylbenzoic acid;4-methylbenzoic acid;17-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene;2-methylphenol;3-methylphenol;4-methylphenol;2-(3-methylphenoxy)acetic acid;2-(4-methylphenoxy)acetic acid;2-(4-methylphenyl)acetic acid;2-(4-methylphenyl)propanoic acid has a molecular weight of 2589.11 g/mol, XLogP of 28.88, 20 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-methylbenzene;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzene-1,3-disulfonic acid;2-methylbenzenesulfonic acid;5-methyl-1,3-benzodioxole;2-methylbenzoic acid;4-methylbenzoic acid;17-methyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene;2-methylphenol;3-methylphenol;4-methylphenol;2-(3-methylphenoxy)acetic acid;2-(4-methylphenoxy)acetic acid;2-(4-methylphenyl)acetic acid;2-(4-methylphenyl)propanoic acid is sourced from PubChem (CID 160869981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).