4-(2-acetylbenzoyl)phthalic acid

C17H12O6 — CID 71123619

IUPAC4-(2-acetylbenzoyl)phthalic acid
SMILESCC(=O)c1ccccc1C(=O)c1ccc(C(=O)O)c(C(=O)O)c1
InChIInChI=1S/C17H12O6/c1-9(18)11-4-2-3-5-12(11)15(19)10-6-7-13(16(20)21)14(8-10)17(22)23/h2-8H,1H3,(H,20,21)(H,22,23)
InChIKeyBEOMWMWNQGESPM-UHFFFAOYSA-N
MW312.28 g/mol
LogP2.52
Rot. Bonds5

About 4-(2-acetylbenzoyl)phthalic acid

4-(2-acetylbenzoyl)phthalic acid (PubChem CID 71123619) has the molecular formula C17H12O6 and a molecular weight of 312.28 g/mol. Its IUPAC name is 4-(2-acetylbenzoyl)phthalic acid.

Molecular Properties

Compound Name4-(2-acetylbenzoyl)phthalic acid
PubChem CID71123619
Molecular FormulaC17H12O6
Molecular Weight312.28 g/mol
Exact Mass312.06
IUPAC Name4-(2-acetylbenzoyl)phthalic acid
SMILESCC(=O)c1ccccc1C(=O)c1ccc(C(=O)O)c(C(=O)O)c1
InChIInChI=1S/C17H12O6/c1-9(18)11-4-2-3-5-12(11)15(19)10-6-7-13(16(20)21)14(8-10)17(22)23/h2-8H,1H3,(H,20,21)(H,22,23)
InChIKeyBEOMWMWNQGESPM-UHFFFAOYSA-N
XLogP2.52
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-acetylbenzoyl)phthalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-methylbenzoyl)phthalic acid
CID 22362607
4-(2-carboxybenzoyl)benzene-1,3-dicarboxylic acid
CID 143439046
2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid
CID 153325075
1-(3,4-dibenzoylphenyl)ethanone
CID 122398532
1-(2-benzoylphenyl)ethanone;molecular nitrogen
CID 174779565
4-benzoylphthalic acid;bis(carbon dioxide)
CID 159894307
benzene-1,2,4,5-tetracarboxylic acid;phthalic acid
CID 174433443
2-(3,4-dichlorobenzoyl)benzoic acid
CID 793356
2-(3-methylbenzoyl)benzoic acid
CID 2801746
2-(4-bromo-3-methylbenzoyl)benzoic acid
CID 123816011
1-[2-(3,4-dimethoxybenzoyl)phenyl]ethanone
CID 102341182
2-benzoylbenzoic acid;hydrofluoride
CID 70485904

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetylbenzoyl)phthalic acid?
The IUPAC name of 4-(2-acetylbenzoyl)phthalic acid (CID 71123619) is 4-(2-acetylbenzoyl)phthalic acid.
What is the SMILES notation for 4-(2-acetylbenzoyl)phthalic acid?
The canonical SMILES for 4-(2-acetylbenzoyl)phthalic acid is CC(=O)c1ccccc1C(=O)c1ccc(C(=O)O)c(C(=O)O)c1.
What is the InChIKey of 4-(2-acetylbenzoyl)phthalic acid?
The InChIKey is BEOMWMWNQGESPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O6/c1-9(18)11-4-2-3-5-12(11)15(19)10-6-7-13(16(20)21)14(8-10)17(22)23/h2-8H,1H3,(H,20,21)(H,22,23).
What are the key properties of 4-(2-acetylbenzoyl)phthalic acid?
4-(2-acetylbenzoyl)phthalic acid has a molecular weight of 312.28 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetylbenzoyl)phthalic acid is sourced from PubChem (CID 71123619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).