(3-cyano-1,1-diphenylpropyl) formate

C17H15NO2 — CID 173340031

IUPAC(3-cyano-1,1-diphenylpropyl) formate
SMILESN#CCCC(OC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15NO2/c18-13-7-12-17(20-14-19,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,14H,7,12H2
InChIKeyAXXIOQAEOZJYOL-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.41
Rot. Bonds6

About (3-cyano-1,1-diphenylpropyl) formate

(3-cyano-1,1-diphenylpropyl) formate (PubChem CID 173340031) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is (3-cyano-1,1-diphenylpropyl) formate.

Molecular Properties

Compound Name(3-cyano-1,1-diphenylpropyl) formate
PubChem CID173340031
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name(3-cyano-1,1-diphenylpropyl) formate
SMILESN#CCCC(OC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15NO2/c18-13-7-12-17(20-14-19,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,14H,7,12H2
InChIKeyAXXIOQAEOZJYOL-UHFFFAOYSA-N
XLogP3.41
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-cyano-1,1-diphenylpropyl) formate 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 (3-cyano-1,1-diphenylpropyl) formate?
The IUPAC name of (3-cyano-1,1-diphenylpropyl) formate (CID 173340031) is (3-cyano-1,1-diphenylpropyl) formate.
What is the SMILES notation for (3-cyano-1,1-diphenylpropyl) formate?
The canonical SMILES for (3-cyano-1,1-diphenylpropyl) formate is N#CCCC(OC=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3-cyano-1,1-diphenylpropyl) formate?
The InChIKey is AXXIOQAEOZJYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c18-13-7-12-17(20-14-19,15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-6,8-11,14H,7,12H2.
What are the key properties of (3-cyano-1,1-diphenylpropyl) formate?
(3-cyano-1,1-diphenylpropyl) formate has a molecular weight of 265.31 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyano-1,1-diphenylpropyl) formate is sourced from PubChem (CID 173340031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).