4-(2-phenylphenoxy)butanenitrile

C16H15NO — CID 14751947

IUPAC4-(2-phenylphenoxy)butanenitrile
SMILESN#CCCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C16H15NO/c17-12-6-7-13-18-16-11-5-4-10-15(16)14-8-2-1-3-9-14/h1-5,8-11H,6-7,13H2
InChIKeyKDFRZOHGRSVOKN-UHFFFAOYSA-N
MW237.30 g/mol
LogP4.04
Rot. Bonds5

About 4-(2-phenylphenoxy)butanenitrile

4-(2-phenylphenoxy)butanenitrile (PubChem CID 14751947) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(2-phenylphenoxy)butanenitrile.

Molecular Properties

Compound Name4-(2-phenylphenoxy)butanenitrile
PubChem CID14751947
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name4-(2-phenylphenoxy)butanenitrile
SMILESN#CCCCOc1ccccc1-c1ccccc1
InChIInChI=1S/C16H15NO/c17-12-6-7-13-18-16-11-5-4-10-15(16)14-8-2-1-3-9-14/h1-5,8-11H,6-7,13H2
InChIKeyKDFRZOHGRSVOKN-UHFFFAOYSA-N
XLogP4.04
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-phenylphenoxy)butanenitrile 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-[2-(2-phenylphenoxy)ethoxy]benzonitrile
CID 22685600
1-(8-chlorooctoxy)-2-phenylbenzene
CID 70493005
4-(2-phenylphenoxy)butan-1-amine;hydrochloride
CID 3046513
N,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine
CID 2184471
1-octadecoxy-2-phenylbenzene
CID 70983974
2-(2-phenylphenoxy)ethanamine;hydrochloride
CID 2876913
N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine
CID 2182223
1-phenyl-2-(2-propan-2-yloxyethoxy)benzene
CID 71073529
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
3-(2-phenylphenoxy)-N-propan-2-ylpropan-1-amine
CID 29016000
2-[2-(3-cyanopropoxy)phenyl]pyrimidine-4-carboxylic acid
CID 175127591
1-but-3-enoxy-2-phenylbenzene
CID 154014031

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylphenoxy)butanenitrile?
The IUPAC name of 4-(2-phenylphenoxy)butanenitrile (CID 14751947) is 4-(2-phenylphenoxy)butanenitrile.
What is the SMILES notation for 4-(2-phenylphenoxy)butanenitrile?
The canonical SMILES for 4-(2-phenylphenoxy)butanenitrile is N#CCCCOc1ccccc1-c1ccccc1.
What is the InChIKey of 4-(2-phenylphenoxy)butanenitrile?
The InChIKey is KDFRZOHGRSVOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c17-12-6-7-13-18-16-11-5-4-10-15(16)14-8-2-1-3-9-14/h1-5,8-11H,6-7,13H2.
What are the key properties of 4-(2-phenylphenoxy)butanenitrile?
4-(2-phenylphenoxy)butanenitrile has a molecular weight of 237.30 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylphenoxy)butanenitrile is sourced from PubChem (CID 14751947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).