2-(3-methylbenzoyl)benzoic acid

C15H12O3 — CID 2801746

IUPAC2-(3-methylbenzoyl)benzoic acid
SMILESCc1cccc(C(=O)c2ccccc2C(=O)O)c1
InChIInChI=1S/C15H12O3/c1-10-5-4-6-11(9-10)14(16)12-7-2-3-8-13(12)15(17)18/h2-9H,1H3,(H,17,18)
InChIKeyGVSLNMMHEAMXAJ-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.92
Rot. Bonds3

About 2-(3-methylbenzoyl)benzoic acid

2-(3-methylbenzoyl)benzoic acid (PubChem CID 2801746) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(3-methylbenzoyl)benzoic acid.

Molecular Properties

Compound Name2-(3-methylbenzoyl)benzoic acid
PubChem CID2801746
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name2-(3-methylbenzoyl)benzoic acid
SMILESCc1cccc(C(=O)c2ccccc2C(=O)O)c1
InChIInChI=1S/C15H12O3/c1-10-5-4-6-11(9-10)14(16)12-7-2-3-8-13(12)15(17)18/h2-9H,1H3,(H,17,18)
InChIKeyGVSLNMMHEAMXAJ-UHFFFAOYSA-N
XLogP2.92
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid
CID 153325075
bis(3-methylphenyl)methanone
CID 17848
3-methylbenzoic acid
CID 7418
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
2-(3-methylsulfanylbenzoyl)benzoic acid
CID 91655850
phthalic acid;toluene
CID 174855044
(3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 55120964
(2-bromo-3-methylphenyl)-(3-methylphenyl)methanone
CID 107984414
(2,3-difluorophenyl)-(3-methylphenyl)methanone
CID 63987550
potassium;2-benzoylbenzoic acid;carbonic acid;hydride
CID 174538338
2-(4-bromo-3-methylbenzoyl)benzoic acid
CID 123816011
2-methoxy-5-(3-methylbenzoyl)benzoic acid
CID 22917219

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbenzoyl)benzoic acid?
The IUPAC name of 2-(3-methylbenzoyl)benzoic acid (CID 2801746) is 2-(3-methylbenzoyl)benzoic acid.
What is the SMILES notation for 2-(3-methylbenzoyl)benzoic acid?
The canonical SMILES for 2-(3-methylbenzoyl)benzoic acid is Cc1cccc(C(=O)c2ccccc2C(=O)O)c1.
What is the InChIKey of 2-(3-methylbenzoyl)benzoic acid?
The InChIKey is GVSLNMMHEAMXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-10-5-4-6-11(9-10)14(16)12-7-2-3-8-13(12)15(17)18/h2-9H,1H3,(H,17,18).
What are the key properties of 2-(3-methylbenzoyl)benzoic acid?
2-(3-methylbenzoyl)benzoic acid has a molecular weight of 240.26 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbenzoyl)benzoic acid is sourced from PubChem (CID 2801746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).