4-(2,3-dimethylbenzoyl)benzoic acid

C16H14O3 — CID 175457920

IUPAC4-(2,3-dimethylbenzoyl)benzoic acid
SMILESCc1cccc(C(=O)c2ccc(C(=O)O)cc2)c1C
InChIInChI=1S/C16H14O3/c1-10-4-3-5-14(11(10)2)15(17)12-6-8-13(9-7-12)16(18)19/h3-9H,1-2H3,(H,18,19)
InChIKeyJAYOFLGOBLWJCK-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.23
Rot. Bonds3

About 4-(2,3-dimethylbenzoyl)benzoic acid

4-(2,3-dimethylbenzoyl)benzoic acid (PubChem CID 175457920) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 4-(2,3-dimethylbenzoyl)benzoic acid.

Molecular Properties

Compound Name4-(2,3-dimethylbenzoyl)benzoic acid
PubChem CID175457920
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name4-(2,3-dimethylbenzoyl)benzoic acid
SMILESCc1cccc(C(=O)c2ccc(C(=O)O)cc2)c1C
InChIInChI=1S/C16H14O3/c1-10-4-3-5-14(11(10)2)15(17)12-6-8-13(9-7-12)16(18)19/h3-9H,1-2H3,(H,18,19)
InChIKeyJAYOFLGOBLWJCK-UHFFFAOYSA-N
XLogP3.23
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159951
(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanone
CID 112694096
(4-bromo-3,5-dimethylphenyl)-(2,3-dimethylphenyl)methanone
CID 114329761
(3,4-diethylphenyl)-(2,3-dimethylphenyl)methanone
CID 115481860
(2,3-dimethylphenyl)-(5-methylfuran-3-yl)methanone
CID 114970147
2-(2-benzoylphenyl)-1-(2,3-dimethylphenyl)ethanone
CID 175001099
bis(1-(2,3-dimethylphenyl)-2-phenylethane-1,2-dione);tris(1,2-diphenylethane-1,2-dione)
CID 173395381
(3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanone
CID 115565910
[3-(2,3-dimethylbenzoyl)phenyl] acetate
CID 24722984
1,3-dihydro-2-benzofuran-5-yl-(2,3-dimethylphenyl)methanone
CID 63019871
(2,3-dimethylphenyl)-(1H-pyrrol-2-yl)methanone
CID 63748897
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylbenzoyl)benzoic acid?
The IUPAC name of 4-(2,3-dimethylbenzoyl)benzoic acid (CID 175457920) is 4-(2,3-dimethylbenzoyl)benzoic acid.
What is the SMILES notation for 4-(2,3-dimethylbenzoyl)benzoic acid?
The canonical SMILES for 4-(2,3-dimethylbenzoyl)benzoic acid is Cc1cccc(C(=O)c2ccc(C(=O)O)cc2)c1C.
What is the InChIKey of 4-(2,3-dimethylbenzoyl)benzoic acid?
The InChIKey is JAYOFLGOBLWJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-10-4-3-5-14(11(10)2)15(17)12-6-8-13(9-7-12)16(18)19/h3-9H,1-2H3,(H,18,19).
What are the key properties of 4-(2,3-dimethylbenzoyl)benzoic acid?
4-(2,3-dimethylbenzoyl)benzoic acid has a molecular weight of 254.28 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbenzoyl)benzoic acid is sourced from PubChem (CID 175457920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).