1-(2-phenoxyethyl)cycloheptane-1-carbonitrile

C16H21NO — CID 65389721

IUPAC1-(2-phenoxyethyl)cycloheptane-1-carbonitrile
SMILESN#CC1(CCOc2ccccc2)CCCCCC1
InChIInChI=1S/C16H21NO/c17-14-16(10-6-1-2-7-11-16)12-13-18-15-8-4-3-5-9-15/h3-5,8-9H,1-2,6-7,10-13H2
InChIKeyKUZXJFUREQVUFP-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.32
Rot. Bonds4

About 1-(2-phenoxyethyl)cycloheptane-1-carbonitrile

1-(2-phenoxyethyl)cycloheptane-1-carbonitrile (PubChem CID 65389721) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(2-phenoxyethyl)cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-phenoxyethyl)cycloheptane-1-carbonitrile
PubChem CID65389721
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-(2-phenoxyethyl)cycloheptane-1-carbonitrile
SMILESN#CC1(CCOc2ccccc2)CCCCCC1
InChIInChI=1S/C16H21NO/c17-14-16(10-6-1-2-7-11-16)12-13-18-15-8-4-3-5-9-15/h3-5,8-9H,1-2,6-7,10-13H2
InChIKeyKUZXJFUREQVUFP-UHFFFAOYSA-N
XLogP4.32
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-phenoxyethyl)cycloheptane-1-carbonitrile 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

1-[2-(3-bromophenoxy)ethyl]cyclopentane-1-carbonitrile
CID 65376174
1-(3-phenoxypropyl)cycloheptan-1-amine
CID 62937840
3-methyl-1-(3-phenoxypropyl)cyclopentane-1-carbonitrile
CID 65401453
4-[2-(1-cyanocyclohexyl)ethoxy]-2-fluorobenzenesulfonamide
CID 166276255
N-(1-cyanocyclopentyl)-4-phenoxybutanamide
CID 86978972
1-[(4-tert-butylphenoxy)methyl]cyclohexane-1-carbonitrile
CID 94697357
1-[2-(5,6,7,8-tetrahydroquinolin-3-yloxy)ethyl]cyclopropane-1-carbonitrile
CID 167869238
1-(2-phenoxyethoxymethyl)cyclohexan-1-amine
CID 64573978
1-[2-(4-bromophenoxy)ethyl]-3-ethylcyclohexane-1-carbonitrile
CID 65403270
1-[(2-phenoxyethylamino)methyl]cyclopentan-1-ol
CID 65111917
1-(phenylmethoxymethyl)cyclobutane-1-carbonitrile
CID 97033912
2-(2-phenoxyethyl)-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
CID 65395649

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethyl)cycloheptane-1-carbonitrile?
The IUPAC name of 1-(2-phenoxyethyl)cycloheptane-1-carbonitrile (CID 65389721) is 1-(2-phenoxyethyl)cycloheptane-1-carbonitrile.
What is the SMILES notation for 1-(2-phenoxyethyl)cycloheptane-1-carbonitrile?
The canonical SMILES for 1-(2-phenoxyethyl)cycloheptane-1-carbonitrile is N#CC1(CCOc2ccccc2)CCCCCC1.
What is the InChIKey of 1-(2-phenoxyethyl)cycloheptane-1-carbonitrile?
The InChIKey is KUZXJFUREQVUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c17-14-16(10-6-1-2-7-11-16)12-13-18-15-8-4-3-5-9-15/h3-5,8-9H,1-2,6-7,10-13H2.
What are the key properties of 1-(2-phenoxyethyl)cycloheptane-1-carbonitrile?
1-(2-phenoxyethyl)cycloheptane-1-carbonitrile has a molecular weight of 243.35 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethyl)cycloheptane-1-carbonitrile is sourced from PubChem (CID 65389721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).