4-[4-(4-chlorophenyl)phenyl]-4-hydroxypentanenitrile

C17H16ClNO — CID 21396505

IUPAC4-[4-(4-chlorophenyl)phenyl]-4-hydroxypentanenitrile
SMILESCC(O)(CCC#N)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16ClNO/c1-17(20,11-2-12-19)15-7-3-13(4-8-15)14-5-9-16(18)10-6-14/h3-10,20H,2,11H2,1H3
InChIKeyMZRHRARWRKAPKT-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.52
Rot. Bonds4

About 4-[4-(4-chlorophenyl)phenyl]-4-hydroxypentanenitrile

4-[4-(4-chlorophenyl)phenyl]-4-hydroxypentanenitrile (PubChem CID 21396505) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)phenyl]-4-hydroxypentanenitrile.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)phenyl]-4-hydroxypentanenitrile
PubChem CID21396505
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name4-[4-(4-chlorophenyl)phenyl]-4-hydroxypentanenitrile
SMILESCC(O)(CCC#N)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16ClNO/c1-17(20,11-2-12-19)15-7-3-13(4-8-15)14-5-9-16(18)10-6-14/h3-10,20H,2,11H2,1H3
InChIKeyMZRHRARWRKAPKT-UHFFFAOYSA-N
XLogP4.52
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[4-(4-chlorophenyl)phenyl]-4-hydroxypentanenitrile 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

2-(4-chlorophenyl)hex-5-yn-2-ol
CID 63656672
2-(4-chlorophenyl)-4-cyano-2-methylbutanoic acid
CID 117049620
2-(4-chlorophenyl)pentan-2-ol
CID 23555553
2-(4-chlorophenyl)hept-5-yn-2-ol
CID 104809269
4-hydroxy-4-[4-(2-methylphenyl)phenyl]pentanenitrile
CID 21396491
4-[4-(4-aminophenoxy)phenyl]-4-hydroxypentanenitrile
CID 21396596
2-(4-chlorophenyl)-6,6,6-trifluorohexan-2-ol
CID 115515246
5-[1-(4-chlorophenyl)ethylamino]-4,4-dimethylpentanenitrile
CID 113489698
1-amino-2-(4-chlorophenyl)propan-2-ol;hydrochloride
CID 17039441
CID 169129166
CID 169129166
bis(1-tert-butyl-4-chlorobenzene);hydrate
CID 91871679
2-(4-chlorophenyl)-2,2-dihydroxyacetonitrile
CID 143794107

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)phenyl]-4-hydroxypentanenitrile?
The IUPAC name of 4-[4-(4-chlorophenyl)phenyl]-4-hydroxypentanenitrile (CID 21396505) is 4-[4-(4-chlorophenyl)phenyl]-4-hydroxypentanenitrile.
What is the SMILES notation for 4-[4-(4-chlorophenyl)phenyl]-4-hydroxypentanenitrile?
The canonical SMILES for 4-[4-(4-chlorophenyl)phenyl]-4-hydroxypentanenitrile is CC(O)(CCC#N)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)phenyl]-4-hydroxypentanenitrile?
The InChIKey is MZRHRARWRKAPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-17(20,11-2-12-19)15-7-3-13(4-8-15)14-5-9-16(18)10-6-14/h3-10,20H,2,11H2,1H3.
What are the key properties of 4-[4-(4-chlorophenyl)phenyl]-4-hydroxypentanenitrile?
4-[4-(4-chlorophenyl)phenyl]-4-hydroxypentanenitrile has a molecular weight of 285.77 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)phenyl]-4-hydroxypentanenitrile is sourced from PubChem (CID 21396505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).