(2-oxo-2-phenoxy-1-phenylethyl) benzoate

C21H16O4 — CID 57212874

IUPAC(2-oxo-2-phenoxy-1-phenylethyl) benzoate
SMILESO=C(OC(C(=O)Oc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16O4/c22-20(17-12-6-2-7-13-17)25-19(16-10-4-1-5-11-16)21(23)24-18-14-8-3-9-15-18/h1-15,19H
InChIKeyRTUDVSOMPHKWBM-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.19
Rot. Bonds5

About (2-oxo-2-phenoxy-1-phenylethyl) benzoate

(2-oxo-2-phenoxy-1-phenylethyl) benzoate (PubChem CID 57212874) has the molecular formula C21H16O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is (2-oxo-2-phenoxy-1-phenylethyl) benzoate.

Molecular Properties

Compound Name(2-oxo-2-phenoxy-1-phenylethyl) benzoate
PubChem CID57212874
Molecular FormulaC21H16O4
Molecular Weight332.36 g/mol
Exact Mass332.10
IUPAC Name(2-oxo-2-phenoxy-1-phenylethyl) benzoate
SMILESO=C(OC(C(=O)Oc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H16O4/c22-20(17-12-6-2-7-13-17)25-19(16-10-4-1-5-11-16)21(23)24-18-14-8-3-9-15-18/h1-15,19H
InChIKeyRTUDVSOMPHKWBM-UHFFFAOYSA-N
XLogP4.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (2-oxo-2-phenoxy-1-phenylethyl) benzoate 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

[(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate
CID 11747638
(2-chloro-2-oxo-1-phenylethyl) benzoate
CID 10659973
phenyl 2-methylsulfonyloxy-2-phenylacetate
CID 118035163
[1-(methylamino)-2-oxo-2-phenoxyethyl] benzoate
CID 175111678
(4-methoxyphenyl) (2S)-2-acetyloxy-2-phenylacetate
CID 102577965
[(1S)-2-methoxy-2-oxo-1-phenylethyl] 4-carbamoylbenzoate
CID 30929559
[(1S)-2-oxo-1,2-diphenylethyl] 4-chlorobenzoate
CID 2360889
phenyl (2R)-2-hydroxy-2-phenylacetate
CID 15685596
[hydroxy(phenyl)methyl] benzoate
CID 22715526
(2-oxo-1,2-diphenylethyl) 4-(trifluoromethoxy)benzoate
CID 4159962
1-phenylethyl benzoate
CID 174857426
(2-oxo-1,2-diphenylethyl) 2-hydrazinylbenzoate
CID 174432426

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-phenoxy-1-phenylethyl) benzoate?
The IUPAC name of (2-oxo-2-phenoxy-1-phenylethyl) benzoate (CID 57212874) is (2-oxo-2-phenoxy-1-phenylethyl) benzoate.
What is the SMILES notation for (2-oxo-2-phenoxy-1-phenylethyl) benzoate?
The canonical SMILES for (2-oxo-2-phenoxy-1-phenylethyl) benzoate is O=C(OC(C(=O)Oc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (2-oxo-2-phenoxy-1-phenylethyl) benzoate?
The InChIKey is RTUDVSOMPHKWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O4/c22-20(17-12-6-2-7-13-17)25-19(16-10-4-1-5-11-16)21(23)24-18-14-8-3-9-15-18/h1-15,19H.
What are the key properties of (2-oxo-2-phenoxy-1-phenylethyl) benzoate?
(2-oxo-2-phenoxy-1-phenylethyl) benzoate has a molecular weight of 332.36 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-phenoxy-1-phenylethyl) benzoate is sourced from PubChem (CID 57212874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).