4-(4-oxo-1-phenylpentyl)benzonitrile

C18H17NO — CID 162418446

IUPAC4-(4-oxo-1-phenylpentyl)benzonitrile
SMILESCC(=O)CCC(c1ccccc1)c1ccc(C#N)cc1
InChIInChI=1S/C18H17NO/c1-14(20)7-12-18(16-5-3-2-4-6-16)17-10-8-15(13-19)9-11-17/h2-6,8-11,18H,7,12H2,1H3
InChIKeyDEOVQUHTPWAVEO-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.06
Rot. Bonds5

About 4-(4-oxo-1-phenylpentyl)benzonitrile

4-(4-oxo-1-phenylpentyl)benzonitrile (PubChem CID 162418446) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(4-oxo-1-phenylpentyl)benzonitrile.

Molecular Properties

Compound Name4-(4-oxo-1-phenylpentyl)benzonitrile
PubChem CID162418446
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name4-(4-oxo-1-phenylpentyl)benzonitrile
SMILESCC(=O)CCC(c1ccccc1)c1ccc(C#N)cc1
InChIInChI=1S/C18H17NO/c1-14(20)7-12-18(16-5-3-2-4-6-16)17-10-8-15(13-19)9-11-17/h2-6,8-11,18H,7,12H2,1H3
InChIKeyDEOVQUHTPWAVEO-UHFFFAOYSA-N
XLogP4.06
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-oxo-1-phenylpentyl)benzonitrile 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-(4-oxo-1-phenylpentyl)benzonitrile?
The IUPAC name of 4-(4-oxo-1-phenylpentyl)benzonitrile (CID 162418446) is 4-(4-oxo-1-phenylpentyl)benzonitrile.
What is the SMILES notation for 4-(4-oxo-1-phenylpentyl)benzonitrile?
The canonical SMILES for 4-(4-oxo-1-phenylpentyl)benzonitrile is CC(=O)CCC(c1ccccc1)c1ccc(C#N)cc1.
What is the InChIKey of 4-(4-oxo-1-phenylpentyl)benzonitrile?
The InChIKey is DEOVQUHTPWAVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-14(20)7-12-18(16-5-3-2-4-6-16)17-10-8-15(13-19)9-11-17/h2-6,8-11,18H,7,12H2,1H3.
What are the key properties of 4-(4-oxo-1-phenylpentyl)benzonitrile?
4-(4-oxo-1-phenylpentyl)benzonitrile has a molecular weight of 263.34 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxo-1-phenylpentyl)benzonitrile is sourced from PubChem (CID 162418446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).