2-(4-methoxyphenyl)cycloheptane-1-carbonitrile

C15H19NO — CID 82242717

IUPAC2-(4-methoxyphenyl)cycloheptane-1-carbonitrile
SMILESCOc1ccc(C2CCCCCC2C#N)cc1
InChIInChI=1S/C15H19NO/c1-17-14-9-7-12(8-10-14)15-6-4-2-3-5-13(15)11-16/h7-10,13,15H,2-6H2,1H3
InChIKeyRESHFGXXGFFMGX-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.88
Rot. Bonds2

About 2-(4-methoxyphenyl)cycloheptane-1-carbonitrile

2-(4-methoxyphenyl)cycloheptane-1-carbonitrile (PubChem CID 82242717) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-(4-methoxyphenyl)cycloheptane-1-carbonitrile
PubChem CID82242717
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-(4-methoxyphenyl)cycloheptane-1-carbonitrile
SMILESCOc1ccc(C2CCCCCC2C#N)cc1
InChIInChI=1S/C15H19NO/c1-17-14-9-7-12(8-10-14)15-6-4-2-3-5-13(15)11-16/h7-10,13,15H,2-6H2,1H3
InChIKeyRESHFGXXGFFMGX-UHFFFAOYSA-N
XLogP3.88
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-methoxyphenyl)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

2-(4-methoxyphenyl)cyclobutane-1-carbonitrile
CID 172635786
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
2-phenylcycloheptane-1-carbonitrile
CID 82241213
2-(4-methoxyanilino)cycloheptane-1-carbonitrile
CID 55114320
1-methoxy-4-[(1S,2R)-2-methoxycyclohexyl]benzene
CID 138979383
2-(4-methoxyphenyl)sulfonylcyclohexane-1-carbonitrile
CID 64691796
2-[(4-methoxyphenyl)methyl-methylamino]cycloheptane-1-carbonitrile
CID 61420333
2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile
CID 62962017
cis-(1S,2R)-2-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 91536738
bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013
2-[2-(4-methoxyphenyl)cyclohexyl]propan-1-amine
CID 82244560
2-[4-(4-methoxyphenyl)phenyl]cyclopentan-1-amine
CID 69111845

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)cycloheptane-1-carbonitrile?
The IUPAC name of 2-(4-methoxyphenyl)cycloheptane-1-carbonitrile (CID 82242717) is 2-(4-methoxyphenyl)cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-(4-methoxyphenyl)cycloheptane-1-carbonitrile?
The canonical SMILES for 2-(4-methoxyphenyl)cycloheptane-1-carbonitrile is COc1ccc(C2CCCCCC2C#N)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)cycloheptane-1-carbonitrile?
The InChIKey is RESHFGXXGFFMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-17-14-9-7-12(8-10-14)15-6-4-2-3-5-13(15)11-16/h7-10,13,15H,2-6H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)cycloheptane-1-carbonitrile?
2-(4-methoxyphenyl)cycloheptane-1-carbonitrile has a molecular weight of 229.32 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)cycloheptane-1-carbonitrile is sourced from PubChem (CID 82242717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).