4-(1-phenylcyclobutyl)oxybenzonitrile

C17H15NO — CID 159749634

IUPAC4-(1-phenylcyclobutyl)oxybenzonitrile
SMILESN#Cc1ccc(OC2(c3ccccc3)CCC2)cc1
InChIInChI=1S/C17H15NO/c18-13-14-7-9-16(10-8-14)19-17(11-4-12-17)15-5-2-1-3-6-15/h1-3,5-10H,4,11-12H2
InChIKeyNCCVQGSNJXBITR-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.02
Rot. Bonds3

About 4-(1-phenylcyclobutyl)oxybenzonitrile

4-(1-phenylcyclobutyl)oxybenzonitrile (PubChem CID 159749634) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-(1-phenylcyclobutyl)oxybenzonitrile.

Molecular Properties

Compound Name4-(1-phenylcyclobutyl)oxybenzonitrile
PubChem CID159749634
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name4-(1-phenylcyclobutyl)oxybenzonitrile
SMILESN#Cc1ccc(OC2(c3ccccc3)CCC2)cc1
InChIInChI=1S/C17H15NO/c18-13-14-7-9-16(10-8-14)19-17(11-4-12-17)15-5-2-1-3-6-15/h1-3,5-10H,4,11-12H2
InChIKeyNCCVQGSNJXBITR-UHFFFAOYSA-N
XLogP4.02
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(1-phenylcyclobutyl)oxybenzonitrile 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-(1-phenylcyclobutyl)oxybenzonitrile?
The IUPAC name of 4-(1-phenylcyclobutyl)oxybenzonitrile (CID 159749634) is 4-(1-phenylcyclobutyl)oxybenzonitrile.
What is the SMILES notation for 4-(1-phenylcyclobutyl)oxybenzonitrile?
The canonical SMILES for 4-(1-phenylcyclobutyl)oxybenzonitrile is N#Cc1ccc(OC2(c3ccccc3)CCC2)cc1.
What is the InChIKey of 4-(1-phenylcyclobutyl)oxybenzonitrile?
The InChIKey is NCCVQGSNJXBITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c18-13-14-7-9-16(10-8-14)19-17(11-4-12-17)15-5-2-1-3-6-15/h1-3,5-10H,4,11-12H2.
What are the key properties of 4-(1-phenylcyclobutyl)oxybenzonitrile?
4-(1-phenylcyclobutyl)oxybenzonitrile has a molecular weight of 249.31 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylcyclobutyl)oxybenzonitrile is sourced from PubChem (CID 159749634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).