(4-cyanophenyl) 2-phenylacetate

C15H11NO2 — CID 532300

IUPAC(4-cyanophenyl) 2-phenylacetate
SMILESN#Cc1ccc(OC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C15H11NO2/c16-11-13-6-8-14(9-7-13)18-15(17)10-12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyYHXBQMXUSPUGEM-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.71
Rot. Bonds3

About (4-cyanophenyl) 2-phenylacetate

(4-cyanophenyl) 2-phenylacetate (PubChem CID 532300) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is (4-cyanophenyl) 2-phenylacetate.

Molecular Properties

Compound Name(4-cyanophenyl) 2-phenylacetate
PubChem CID532300
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name(4-cyanophenyl) 2-phenylacetate
SMILESN#Cc1ccc(OC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C15H11NO2/c16-11-13-6-8-14(9-7-13)18-15(17)10-12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyYHXBQMXUSPUGEM-UHFFFAOYSA-N
XLogP2.71
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-cyanophenyl) 2-phenylacetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl) 2-phenylacetate?
The IUPAC name of (4-cyanophenyl) 2-phenylacetate (CID 532300) is (4-cyanophenyl) 2-phenylacetate.
What is the SMILES notation for (4-cyanophenyl) 2-phenylacetate?
The canonical SMILES for (4-cyanophenyl) 2-phenylacetate is N#Cc1ccc(OC(=O)Cc2ccccc2)cc1.
What is the InChIKey of (4-cyanophenyl) 2-phenylacetate?
The InChIKey is YHXBQMXUSPUGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c16-11-13-6-8-14(9-7-13)18-15(17)10-12-4-2-1-3-5-12/h1-9H,10H2.
What are the key properties of (4-cyanophenyl) 2-phenylacetate?
(4-cyanophenyl) 2-phenylacetate has a molecular weight of 237.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl) 2-phenylacetate is sourced from PubChem (CID 532300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).