4-(4-chloro-3-methylphenyl)-3-methylbenzoic acid

C15H13ClO2 — CID 53226764

IUPAC4-(4-chloro-3-methylphenyl)-3-methylbenzoic acid
SMILESCc1cc(-c2ccc(C(=O)O)cc2C)ccc1Cl
InChIInChI=1S/C15H13ClO2/c1-9-7-12(15(17)18)3-5-13(9)11-4-6-14(16)10(2)8-11/h3-8H,1-2H3,(H,17,18)
InChIKeyFIIBDAPPAAHNOV-UHFFFAOYSA-N
MW260.72 g/mol
LogP4.32
Rot. Bonds2

About 4-(4-chloro-3-methylphenyl)-3-methylbenzoic acid

4-(4-chloro-3-methylphenyl)-3-methylbenzoic acid (PubChem CID 53226764) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenyl)-3-methylbenzoic acid.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenyl)-3-methylbenzoic acid
PubChem CID53226764
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name4-(4-chloro-3-methylphenyl)-3-methylbenzoic acid
SMILESCc1cc(-c2ccc(C(=O)O)cc2C)ccc1Cl
InChIInChI=1S/C15H13ClO2/c1-9-7-12(15(17)18)3-5-13(9)11-4-6-14(16)10(2)8-11/h3-8H,1-2H3,(H,17,18)
InChIKeyFIIBDAPPAAHNOV-UHFFFAOYSA-N
XLogP4.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-acetylphenyl)-3-methylbenzoic acid
CID 53226031
4-(5-chloro-6-methyl-3-pyridinyl)-3-methylbenzoic acid
CID 90009122
acetic acid;2-methylbicyclo[2.2.0]hexa-1,3,5-triene
CID 70501688
4-[4-(dimethylcarbamoyl)phenyl]-3-methylbenzoic acid
CID 53227797
4-(4-ethylphenyl)-3-methylbenzoic acid
CID 53225239
6-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid
CID 53223511
6-amino-5-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid
CID 74888630
3-chloro-4-(2,4-dimethylphenyl)benzoic acid
CID 81307407
4-(4-ethoxycarbonylphenyl)-3-methylbenzoic acid
CID 53227859
4-(2,4-dimethylphenyl)-3-methylbenzoic acid
CID 53225261
4-(2-chloro-4,5-dimethylphenyl)benzoic acid
CID 115484293
[4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone
CID 5143805

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenyl)-3-methylbenzoic acid?
The IUPAC name of 4-(4-chloro-3-methylphenyl)-3-methylbenzoic acid (CID 53226764) is 4-(4-chloro-3-methylphenyl)-3-methylbenzoic acid.
What is the SMILES notation for 4-(4-chloro-3-methylphenyl)-3-methylbenzoic acid?
The canonical SMILES for 4-(4-chloro-3-methylphenyl)-3-methylbenzoic acid is Cc1cc(-c2ccc(C(=O)O)cc2C)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-methylphenyl)-3-methylbenzoic acid?
The InChIKey is FIIBDAPPAAHNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c1-9-7-12(15(17)18)3-5-13(9)11-4-6-14(16)10(2)8-11/h3-8H,1-2H3,(H,17,18).
What are the key properties of 4-(4-chloro-3-methylphenyl)-3-methylbenzoic acid?
4-(4-chloro-3-methylphenyl)-3-methylbenzoic acid has a molecular weight of 260.72 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylphenyl)-3-methylbenzoic acid is sourced from PubChem (CID 53226764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).