4-chloro-3-(4-methoxy-2,5-dimethylphenyl)benzoic acid

C16H15ClO3 — CID 107989851

IUPAC4-chloro-3-(4-methoxy-2,5-dimethylphenyl)benzoic acid
SMILESCOc1cc(C)c(-c2cc(C(=O)O)ccc2Cl)cc1C
InChIInChI=1S/C16H15ClO3/c1-9-7-15(20-3)10(2)6-12(9)13-8-11(16(18)19)4-5-14(13)17/h4-8H,1-3H3,(H,18,19)
InChIKeyASYWIHCTEQEWLV-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.33
Rot. Bonds3

About 4-chloro-3-(4-methoxy-2,5-dimethylphenyl)benzoic acid

4-chloro-3-(4-methoxy-2,5-dimethylphenyl)benzoic acid (PubChem CID 107989851) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-chloro-3-(4-methoxy-2,5-dimethylphenyl)benzoic acid.

Molecular Properties

Compound Name4-chloro-3-(4-methoxy-2,5-dimethylphenyl)benzoic acid
PubChem CID107989851
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name4-chloro-3-(4-methoxy-2,5-dimethylphenyl)benzoic acid
SMILESCOc1cc(C)c(-c2cc(C(=O)O)ccc2Cl)cc1C
InChIInChI=1S/C16H15ClO3/c1-9-7-15(20-3)10(2)6-12(9)13-8-11(16(18)19)4-5-14(13)17/h4-8H,1-3H3,(H,18,19)
InChIKeyASYWIHCTEQEWLV-UHFFFAOYSA-N
XLogP4.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-(5-chloro-2-methoxyphenyl)benzoic acid
CID 53227581
3-(2,5-dichlorophenyl)-4-methoxybenzoic acid
CID 54912392
4-(2-chloro-5-methoxycarbonylphenyl)-3-methoxybenzoic acid
CID 53228447
2-(4-methoxy-2,5-dimethylphenyl)pyridine-4-carboxylic acid
CID 82299850
4-(4-chloro-2-methoxyphenyl)-3-methylbenzoic acid
CID 53227532
4-chloro-3-(2-chloro-4-methylphenyl)benzoic acid
CID 53226634
2-(5-chloro-4-methoxy-2-methylphenyl)pyridine-4-carboxylic acid
CID 95481855
5-(2,5-dichloro-4-methoxyphenyl)-2,4-dimethylbenzoic acid
CID 107515861
3-(4-methoxy-2-methylphenyl)-4-methylbenzoic acid
CID 81476317
3-hydroxy-4-(2,4,5-trimethylphenyl)benzoic acid
CID 114103412
4-chloro-3-(2-fluoro-5-methylphenyl)benzoic acid
CID 53225503
4-(2,4-dimethoxyphenyl)-3-methylbenzoic acid
CID 53227204

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-methoxy-2,5-dimethylphenyl)benzoic acid?
The IUPAC name of 4-chloro-3-(4-methoxy-2,5-dimethylphenyl)benzoic acid (CID 107989851) is 4-chloro-3-(4-methoxy-2,5-dimethylphenyl)benzoic acid.
What is the SMILES notation for 4-chloro-3-(4-methoxy-2,5-dimethylphenyl)benzoic acid?
The canonical SMILES for 4-chloro-3-(4-methoxy-2,5-dimethylphenyl)benzoic acid is COc1cc(C)c(-c2cc(C(=O)O)ccc2Cl)cc1C.
What is the InChIKey of 4-chloro-3-(4-methoxy-2,5-dimethylphenyl)benzoic acid?
The InChIKey is ASYWIHCTEQEWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-9-7-15(20-3)10(2)6-12(9)13-8-11(16(18)19)4-5-14(13)17/h4-8H,1-3H3,(H,18,19).
What are the key properties of 4-chloro-3-(4-methoxy-2,5-dimethylphenyl)benzoic acid?
4-chloro-3-(4-methoxy-2,5-dimethylphenyl)benzoic acid has a molecular weight of 290.75 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-methoxy-2,5-dimethylphenyl)benzoic acid is sourced from PubChem (CID 107989851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).