2-[2-(2,3-diethylbenzoyl)phenyl]benzoic acid

C24H22O3 — CID 175134431

IUPAC2-[2-(2,3-diethylbenzoyl)phenyl]benzoic acid
SMILESCCc1cccc(C(=O)c2ccccc2-c2ccccc2C(=O)O)c1CC
InChIInChI=1S/C24H22O3/c1-3-16-10-9-15-20(17(16)4-2)23(25)21-13-7-5-11-18(21)19-12-6-8-14-22(19)24(26)27/h5-15H,3-4H2,1-2H3,(H,26,27)
InChIKeyXCSCAMZHTJVGAV-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.41
Rot. Bonds6

About 2-[2-(2,3-diethylbenzoyl)phenyl]benzoic acid

2-[2-(2,3-diethylbenzoyl)phenyl]benzoic acid (PubChem CID 175134431) has the molecular formula C24H22O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[2-(2,3-diethylbenzoyl)phenyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(2,3-diethylbenzoyl)phenyl]benzoic acid
PubChem CID175134431
Molecular FormulaC24H22O3
Molecular Weight358.44 g/mol
Exact Mass358.16
IUPAC Name2-[2-(2,3-diethylbenzoyl)phenyl]benzoic acid
SMILESCCc1cccc(C(=O)c2ccccc2-c2ccccc2C(=O)O)c1CC
InChIInChI=1S/C24H22O3/c1-3-16-10-9-15-20(17(16)4-2)23(25)21-13-7-5-11-18(21)19-12-6-8-14-22(19)24(26)27/h5-15H,3-4H2,1-2H3,(H,26,27)
InChIKeyXCSCAMZHTJVGAV-UHFFFAOYSA-N
XLogP5.41
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(2,3-diethylbenzoyl)phenyl]benzoic 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

(2,3-diethylphenyl)-phenylmethanone;phosphenous acid
CID 174596350
2-ethyl-3-(hydroxymethyl)benzoic acid
CID 141102852
2-ethylbenzoic acid;tungsten
CID 23518478
2-(bromomethyl)-3-ethylbenzoic acid
CID 66619635
2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
2-(2-propanoylphenyl)benzoic acid
CID 15194783
acetic acid;2-(2-carboxyphenyl)benzoic acid;propanoic acid
CID 174788541
bis(2-ethyl-3-hydroxyphenyl)methanone
CID 154331637
3-ethyl-2-(methoxymethyl)benzoic acid
CID 177243799
1,2-diethyl-3-(1-phenylethenyl)benzene
CID 18968379
bis(2-ethyl-3-methylphenyl)methanone
CID 141055739
2-[2-(hydroxymethyl)-3-methylphenyl]benzoic acid
CID 66966199

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-diethylbenzoyl)phenyl]benzoic acid?
The IUPAC name of 2-[2-(2,3-diethylbenzoyl)phenyl]benzoic acid (CID 175134431) is 2-[2-(2,3-diethylbenzoyl)phenyl]benzoic acid.
What is the SMILES notation for 2-[2-(2,3-diethylbenzoyl)phenyl]benzoic acid?
The canonical SMILES for 2-[2-(2,3-diethylbenzoyl)phenyl]benzoic acid is CCc1cccc(C(=O)c2ccccc2-c2ccccc2C(=O)O)c1CC.
What is the InChIKey of 2-[2-(2,3-diethylbenzoyl)phenyl]benzoic acid?
The InChIKey is XCSCAMZHTJVGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O3/c1-3-16-10-9-15-20(17(16)4-2)23(25)21-13-7-5-11-18(21)19-12-6-8-14-22(19)24(26)27/h5-15H,3-4H2,1-2H3,(H,26,27).
What are the key properties of 2-[2-(2,3-diethylbenzoyl)phenyl]benzoic acid?
2-[2-(2,3-diethylbenzoyl)phenyl]benzoic acid has a molecular weight of 358.44 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-diethylbenzoyl)phenyl]benzoic acid is sourced from PubChem (CID 175134431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).