2-(3-acetylphenyl)benzoic acid

C15H12O3 — CID 2756265

IUPAC2-(3-acetylphenyl)benzoic acid
SMILESCC(=O)c1cccc(-c2ccccc2C(=O)O)c1
InChIInChI=1S/C15H12O3/c1-10(16)11-5-4-6-12(9-11)13-7-2-3-8-14(13)15(17)18/h2-9H,1H3,(H,17,18)
InChIKeyUTXIAQYSGYZOOP-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.25
Rot. Bonds3

About 2-(3-acetylphenyl)benzoic acid

2-(3-acetylphenyl)benzoic acid (PubChem CID 2756265) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(3-acetylphenyl)benzoic acid.

Molecular Properties

Compound Name2-(3-acetylphenyl)benzoic acid
PubChem CID2756265
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name2-(3-acetylphenyl)benzoic acid
SMILESCC(=O)c1cccc(-c2ccccc2C(=O)O)c1
InChIInChI=1S/C15H12O3/c1-10(16)11-5-4-6-12(9-11)13-7-2-3-8-14(13)15(17)18/h2-9H,1H3,(H,17,18)
InChIKeyUTXIAQYSGYZOOP-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenyl)benzoic acid?
The IUPAC name of 2-(3-acetylphenyl)benzoic acid (CID 2756265) is 2-(3-acetylphenyl)benzoic acid.
What is the SMILES notation for 2-(3-acetylphenyl)benzoic acid?
The canonical SMILES for 2-(3-acetylphenyl)benzoic acid is CC(=O)c1cccc(-c2ccccc2C(=O)O)c1.
What is the InChIKey of 2-(3-acetylphenyl)benzoic acid?
The InChIKey is UTXIAQYSGYZOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-10(16)11-5-4-6-12(9-11)13-7-2-3-8-14(13)15(17)18/h2-9H,1H3,(H,17,18).
What are the key properties of 2-(3-acetylphenyl)benzoic acid?
2-(3-acetylphenyl)benzoic acid has a molecular weight of 240.26 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenyl)benzoic acid is sourced from PubChem (CID 2756265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).