2-(3-chloro-5-methylphenyl)-5-methylbenzoic acid

C15H13ClO2 — CID 53226704

IUPAC2-(3-chloro-5-methylphenyl)-5-methylbenzoic acid
SMILESCc1cc(Cl)cc(-c2ccc(C)cc2C(=O)O)c1
InChIInChI=1S/C15H13ClO2/c1-9-3-4-13(14(7-9)15(17)18)11-5-10(2)6-12(16)8-11/h3-8H,1-2H3,(H,17,18)
InChIKeyDPGLRWOIKKYKJL-UHFFFAOYSA-N
MW260.72 g/mol
LogP4.32
Rot. Bonds2

About 2-(3-chloro-5-methylphenyl)-5-methylbenzoic acid

2-(3-chloro-5-methylphenyl)-5-methylbenzoic acid (PubChem CID 53226704) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-(3-chloro-5-methylphenyl)-5-methylbenzoic acid.

Molecular Properties

Compound Name2-(3-chloro-5-methylphenyl)-5-methylbenzoic acid
PubChem CID53226704
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name2-(3-chloro-5-methylphenyl)-5-methylbenzoic acid
SMILESCc1cc(Cl)cc(-c2ccc(C)cc2C(=O)O)c1
InChIInChI=1S/C15H13ClO2/c1-9-3-4-13(14(7-9)15(17)18)11-5-10(2)6-12(16)8-11/h3-8H,1-2H3,(H,17,18)
InChIKeyDPGLRWOIKKYKJL-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

2-(3-chloro-5-methylphenyl)-5-methoxybenzoic acid
CID 53226719
5-methyl-2-(5-methyl-3-pyridinyl)benzoic acid
CID 115374996
2-(4-methoxy-3,5-dimethylphenyl)-5-methylbenzoic acid
CID 83068338
2-(3-fluoro-5-hydroxyphenyl)-5-methylbenzoic acid
CID 53225648
2-(3,4-diethylphenyl)-5-methylbenzoic acid
CID 115482487
5-methyl-2-thiophen-3-ylbenzoic acid
CID 53224821
methyl 5-methyl-2-phenylbenzoate;5-methyl-2-phenylbenzoic acid
CID 70270036
5-chloro-2-(3,5-difluorophenyl)benzoic acid
CID 82107209
2-(3-cyanophenyl)-5-methylbenzoic acid
CID 53225050
7-chloro-5-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 91527839
5-methyl-2-(3-nitrophenyl)benzoic acid
CID 53226333
5-(3-chloro-5-methylphenyl)pyridine-2-carboxylic acid
CID 53223480

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-methylphenyl)-5-methylbenzoic acid?
The IUPAC name of 2-(3-chloro-5-methylphenyl)-5-methylbenzoic acid (CID 53226704) is 2-(3-chloro-5-methylphenyl)-5-methylbenzoic acid.
What is the SMILES notation for 2-(3-chloro-5-methylphenyl)-5-methylbenzoic acid?
The canonical SMILES for 2-(3-chloro-5-methylphenyl)-5-methylbenzoic acid is Cc1cc(Cl)cc(-c2ccc(C)cc2C(=O)O)c1.
What is the InChIKey of 2-(3-chloro-5-methylphenyl)-5-methylbenzoic acid?
The InChIKey is DPGLRWOIKKYKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c1-9-3-4-13(14(7-9)15(17)18)11-5-10(2)6-12(16)8-11/h3-8H,1-2H3,(H,17,18).
What are the key properties of 2-(3-chloro-5-methylphenyl)-5-methylbenzoic acid?
2-(3-chloro-5-methylphenyl)-5-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 2-(3-chloro-5-methylphenyl)-5-methylbenzoic acid is sourced from PubChem (CID 53226704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).