2-(2-benzoylphenoxy)-2-phenylacetic acid

C21H16O4 — CID 135075285

IUPAC2-(2-benzoylphenoxy)-2-phenylacetic acid
SMILESO=C(c1ccccc1)c1ccccc1OC(C(=O)O)c1ccccc1
InChIInChI=1S/C21H16O4/c22-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)25-20(21(23)24)16-11-5-2-6-12-16/h1-14,20H,(H,23,24)
InChIKeyNHUKZWLBPMWOOZ-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.12
Rot. Bonds6

About 2-(2-benzoylphenoxy)-2-phenylacetic acid

2-(2-benzoylphenoxy)-2-phenylacetic acid (PubChem CID 135075285) has the molecular formula C21H16O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-(2-benzoylphenoxy)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(2-benzoylphenoxy)-2-phenylacetic acid
PubChem CID135075285
Molecular FormulaC21H16O4
Molecular Weight332.36 g/mol
Exact Mass332.10
IUPAC Name2-(2-benzoylphenoxy)-2-phenylacetic acid
SMILESO=C(c1ccccc1)c1ccccc1OC(C(=O)O)c1ccccc1
InChIInChI=1S/C21H16O4/c22-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)25-20(21(23)24)16-11-5-2-6-12-16/h1-14,20H,(H,23,24)
InChIKeyNHUKZWLBPMWOOZ-UHFFFAOYSA-N
XLogP4.12
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-benzoylphenoxy)-2-phenylacetic 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-(2-benzoylphenoxy)-4-phenylbutanoic acid
CID 59214948
(2-phenoxyphenyl)-phenylmethanone
CID 10802273
(2R)-2-(4-fluorophenoxy)-2-phenylacetic acid
CID 42252726
2-(2-hydrazinyl-2-oxo-1-phenylethoxy)benzamide
CID 63576718
(2-benzoylphenyl) (2S)-2-aminopropanoate
CID 67465428
[2-(4-bromobutoxy)phenyl]-phenylmethanone
CID 12660376
acetyl 2-(2-benzoyl-5-methoxyphenoxy)-2-phenylacetate
CID 135058551
[2-(2-methoxyphenoxy)phenyl]-phenylmethanone
CID 157433245
[2-(2-bromophenoxy)phenyl]-phenylmethanone
CID 70097851
[2-(1,1-dihydroxyethoxy)phenyl]-phenylmethanone
CID 139905658
(2-benzoylphenyl) 2-methoxyacetate
CID 150870757
(2R)-2-(2,5-dichlorophenoxy)-2-phenylacetic acid
CID 42177498

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoylphenoxy)-2-phenylacetic acid?
The IUPAC name of 2-(2-benzoylphenoxy)-2-phenylacetic acid (CID 135075285) is 2-(2-benzoylphenoxy)-2-phenylacetic acid.
What is the SMILES notation for 2-(2-benzoylphenoxy)-2-phenylacetic acid?
The canonical SMILES for 2-(2-benzoylphenoxy)-2-phenylacetic acid is O=C(c1ccccc1)c1ccccc1OC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(2-benzoylphenoxy)-2-phenylacetic acid?
The InChIKey is NHUKZWLBPMWOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O4/c22-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)25-20(21(23)24)16-11-5-2-6-12-16/h1-14,20H,(H,23,24).
What are the key properties of 2-(2-benzoylphenoxy)-2-phenylacetic acid?
2-(2-benzoylphenoxy)-2-phenylacetic acid has a molecular weight of 332.36 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoylphenoxy)-2-phenylacetic acid is sourced from PubChem (CID 135075285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).