2-(2-propan-2-ylphenoxy)cyclohexane-1-carbonitrile

C16H21NO — CID 43292426

IUPAC2-(2-propan-2-ylphenoxy)cyclohexane-1-carbonitrile
SMILESCC(C)c1ccccc1OC1CCCCC1C#N
InChIInChI=1S/C16H21NO/c1-12(2)14-8-4-6-10-16(14)18-15-9-5-3-7-13(15)11-17/h4,6,8,10,12-13,15H,3,5,7,9H2,1-2H3
InChIKeyRHGQJFFISULTFM-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.27
Rot. Bonds3

About 2-(2-propan-2-ylphenoxy)cyclohexane-1-carbonitrile

2-(2-propan-2-ylphenoxy)cyclohexane-1-carbonitrile (PubChem CID 43292426) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(2-propan-2-ylphenoxy)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(2-propan-2-ylphenoxy)cyclohexane-1-carbonitrile
PubChem CID43292426
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-(2-propan-2-ylphenoxy)cyclohexane-1-carbonitrile
SMILESCC(C)c1ccccc1OC1CCCCC1C#N
InChIInChI=1S/C16H21NO/c1-12(2)14-8-4-6-10-16(14)18-15-9-5-3-7-13(15)11-17/h4,6,8,10,12-13,15H,3,5,7,9H2,1-2H3
InChIKeyRHGQJFFISULTFM-UHFFFAOYSA-N
XLogP4.27
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-propan-2-ylphenoxy)cyclohexane-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-(2-aminophenoxy)cyclohexane-1-carbonitrile
CID 117095468
2-(2-chlorophenoxy)cyclohexane-1-carbonitrile
CID 43292272
2-(2-bromophenoxy)cyclopentane-1-carbonitrile
CID 43292592
2-(2-cyanocyclopentyl)oxybenzonitrile
CID 43292568
2-(2-ethylphenoxy)cyclopentane-1-carbonitrile
CID 43292906
2-(2-cyanocycloheptyl)oxybenzamide
CID 43292463
2-(2-bromo-4-methylphenoxy)cyclohexane-1-carbonitrile
CID 43292647
2-(2,4,5-trichlorophenoxy)cyclohexane-1-carbonitrile
CID 43292539
2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81386978
2-(2-methoxyphenyl)sulfanylcyclohexane-1-carbonitrile
CID 61296540
(1E)-3-(2-propan-2-ylphenoxy)cyclooctene
CID 114228087
2-(2-cyanocyclohexyl)oxy-3-methoxybenzoic acid
CID 117054033

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylphenoxy)cyclohexane-1-carbonitrile?
The IUPAC name of 2-(2-propan-2-ylphenoxy)cyclohexane-1-carbonitrile (CID 43292426) is 2-(2-propan-2-ylphenoxy)cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(2-propan-2-ylphenoxy)cyclohexane-1-carbonitrile?
The canonical SMILES for 2-(2-propan-2-ylphenoxy)cyclohexane-1-carbonitrile is CC(C)c1ccccc1OC1CCCCC1C#N.
What is the InChIKey of 2-(2-propan-2-ylphenoxy)cyclohexane-1-carbonitrile?
The InChIKey is RHGQJFFISULTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-12(2)14-8-4-6-10-16(14)18-15-9-5-3-7-13(15)11-17/h4,6,8,10,12-13,15H,3,5,7,9H2,1-2H3.
What are the key properties of 2-(2-propan-2-ylphenoxy)cyclohexane-1-carbonitrile?
2-(2-propan-2-ylphenoxy)cyclohexane-1-carbonitrile has a molecular weight of 243.35 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylphenoxy)cyclohexane-1-carbonitrile is sourced from PubChem (CID 43292426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).