4-(4-chloro-2-methoxyphenyl)-3-methylbenzoic acid

C15H13ClO3 — CID 53227532

IUPAC4-(4-chloro-2-methoxyphenyl)-3-methylbenzoic acid
SMILESCOc1cc(Cl)ccc1-c1ccc(C(=O)O)cc1C
InChIInChI=1S/C15H13ClO3/c1-9-7-10(15(17)18)3-5-12(9)13-6-4-11(16)8-14(13)19-2/h3-8H,1-2H3,(H,17,18)
InChIKeyZOZDKRLMNGZMJQ-UHFFFAOYSA-N
MW276.72 g/mol
LogP4.02
Rot. Bonds3

About 4-(4-chloro-2-methoxyphenyl)-3-methylbenzoic acid

4-(4-chloro-2-methoxyphenyl)-3-methylbenzoic acid (PubChem CID 53227532) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 4-(4-chloro-2-methoxyphenyl)-3-methylbenzoic acid.

Molecular Properties

Compound Name4-(4-chloro-2-methoxyphenyl)-3-methylbenzoic acid
PubChem CID53227532
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name4-(4-chloro-2-methoxyphenyl)-3-methylbenzoic acid
SMILESCOc1cc(Cl)ccc1-c1ccc(C(=O)O)cc1C
InChIInChI=1S/C15H13ClO3/c1-9-7-10(15(17)18)3-5-12(9)13-6-4-11(16)8-14(13)19-2/h3-8H,1-2H3,(H,17,18)
InChIKeyZOZDKRLMNGZMJQ-UHFFFAOYSA-N
XLogP4.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,4-dimethoxyphenyl)-3-methylbenzoic acid
CID 53227204
4-(2-fluoro-3-methoxyphenyl)-3-methylbenzoic acid
CID 53226448
2-(4-chloro-2-methoxyphenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470129
4-chloro-3-(5-chloro-2-methoxyphenyl)benzoic acid
CID 53227581
4-(2,5-difluorophenyl)-3-methoxybenzoic acid
CID 53225988
3-(2,5-dichlorophenyl)-4-methoxybenzoic acid
CID 54912392
2-(4-chloro-2-methoxyphenyl)-1,3-benzoxazole-6-carboxylic acid
CID 81340585
4-(5-fluoro-2-methylphenyl)-3-methoxybenzoic acid
CID 53225605
4-chloro-3-(4-methoxy-2,5-dimethylphenyl)benzoic acid
CID 107989851
4-(2,4-dimethylphenyl)-3-methylbenzoic acid
CID 53225261
4-(2-chloro-5-methoxycarbonylphenyl)-3-methoxybenzoic acid
CID 53228447
4-(2,4-dimethoxyphenyl)-3-fluorobenzoic acid
CID 53211675

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methoxyphenyl)-3-methylbenzoic acid?
The IUPAC name of 4-(4-chloro-2-methoxyphenyl)-3-methylbenzoic acid (CID 53227532) is 4-(4-chloro-2-methoxyphenyl)-3-methylbenzoic acid.
What is the SMILES notation for 4-(4-chloro-2-methoxyphenyl)-3-methylbenzoic acid?
The canonical SMILES for 4-(4-chloro-2-methoxyphenyl)-3-methylbenzoic acid is COc1cc(Cl)ccc1-c1ccc(C(=O)O)cc1C.
What is the InChIKey of 4-(4-chloro-2-methoxyphenyl)-3-methylbenzoic acid?
The InChIKey is ZOZDKRLMNGZMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-9-7-10(15(17)18)3-5-12(9)13-6-4-11(16)8-14(13)19-2/h3-8H,1-2H3,(H,17,18).
What are the key properties of 4-(4-chloro-2-methoxyphenyl)-3-methylbenzoic acid?
4-(4-chloro-2-methoxyphenyl)-3-methylbenzoic acid has a molecular weight of 276.72 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methoxyphenyl)-3-methylbenzoic acid is sourced from PubChem (CID 53227532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).