4-acetyl-3-phenylbenzoic acid

C15H12O3 — CID 139966982

IUPAC4-acetyl-3-phenylbenzoic acid
SMILESCC(=O)c1ccc(C(=O)O)cc1-c1ccccc1
InChIInChI=1S/C15H12O3/c1-10(16)13-8-7-12(15(17)18)9-14(13)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18)
InChIKeyVMODLYJQUDCBDX-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.25
Rot. Bonds3

About 4-acetyl-3-phenylbenzoic acid

4-acetyl-3-phenylbenzoic acid (PubChem CID 139966982) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-acetyl-3-phenylbenzoic acid.

Molecular Properties

Compound Name4-acetyl-3-phenylbenzoic acid
PubChem CID139966982
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name4-acetyl-3-phenylbenzoic acid
SMILESCC(=O)c1ccc(C(=O)O)cc1-c1ccccc1
InChIInChI=1S/C15H12O3/c1-10(16)13-8-7-12(15(17)18)9-14(13)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18)
InChIKeyVMODLYJQUDCBDX-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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Related Compounds

2-(2-phenylphenyl)terephthalic acid
CID 67851740
zinc bis(4-carboxy-2-phenylbenzenethiolate)
CID 158764279
1-[4-(5-acetyl-2-phenylphenyl)phenyl]ethanone
CID 141053686
1-[4-(2-acetylphenyl)phenyl]ethanone
CID 11207145
1-[4-phenyl-3-(trifluoromethyl)phenyl]ethanone
CID 118411799
3-(2-methylpropanoyl)-4-phenylbenzoic acid
CID 174547928
1-[2-methyl-4-(4-phenylphenyl)phenyl]ethanone
CID 20716213
4-(2-carboxyphenyl)-2-(4-carboxyphenyl)benzoic acid
CID 102275934
6-(2-phenylphenyl)benzene-1,2,4-tricarboxylic acid
CID 139636462
biphenylene-2-carboxylic acid;hydrochloride
CID 70419826
diphenyl 2-phenylbenzene-1,4-dicarboxylate
CID 67591432
4-(4-acetylphenyl)-3-methylbenzoic acid
CID 53226031

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-phenylbenzoic acid?
The IUPAC name of 4-acetyl-3-phenylbenzoic acid (CID 139966982) is 4-acetyl-3-phenylbenzoic acid.
What is the SMILES notation for 4-acetyl-3-phenylbenzoic acid?
The canonical SMILES for 4-acetyl-3-phenylbenzoic acid is CC(=O)c1ccc(C(=O)O)cc1-c1ccccc1.
What is the InChIKey of 4-acetyl-3-phenylbenzoic acid?
The InChIKey is VMODLYJQUDCBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-10(16)13-8-7-12(15(17)18)9-14(13)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,18).
What are the key properties of 4-acetyl-3-phenylbenzoic acid?
4-acetyl-3-phenylbenzoic 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 4-acetyl-3-phenylbenzoic acid is sourced from PubChem (CID 139966982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).