2-cyclohexyl-2-phenylmethoxypropanenitrile

C16H21NO — CID 154277038

IUPAC2-cyclohexyl-2-phenylmethoxypropanenitrile
SMILESCC(C#N)(OCc1ccccc1)C1CCCCC1
InChIInChI=1S/C16H21NO/c1-16(13-17,15-10-6-3-7-11-15)18-12-14-8-4-2-5-9-14/h2,4-5,8-9,15H,3,6-7,10-12H2,1H3
InChIKeyVNBXZMARHWRGEH-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.07
Rot. Bonds4

About 2-cyclohexyl-2-phenylmethoxypropanenitrile

2-cyclohexyl-2-phenylmethoxypropanenitrile (PubChem CID 154277038) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-cyclohexyl-2-phenylmethoxypropanenitrile.

Molecular Properties

Compound Name2-cyclohexyl-2-phenylmethoxypropanenitrile
PubChem CID154277038
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-cyclohexyl-2-phenylmethoxypropanenitrile
SMILESCC(C#N)(OCc1ccccc1)C1CCCCC1
InChIInChI=1S/C16H21NO/c1-16(13-17,15-10-6-3-7-11-15)18-12-14-8-4-2-5-9-14/h2,4-5,8-9,15H,3,6-7,10-12H2,1H3
InChIKeyVNBXZMARHWRGEH-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylamino)-2-cyclopentylpropanenitrile
CID 55096722
2-phenyl-2-phenylmethoxypropanenitrile
CID 162364617
2-cyclohexyl-2-(3-hydroxypropoxy)propanenitrile
CID 103376423
(2S)-2-cyclohexyl-2-phenyl-2-phenylmethoxyacetaldehyde
CID 11974794
(3-cyclopentyl-3-methylbutyl)benzene
CID 102410017
3-cyclohexyl-3-methyl-1-phenylmethoxybutan-2-one
CID 71415199
benzyl N-(2-cyano-2-cyclopropylpropyl)carbamate
CID 90204036
3-O-benzyl 1-O-methyl 2,2-dicyclohexylpropanedioate
CID 175180069
3-chloro-3-cyclohexyl-4-phenylbutanenitrile
CID 141058574
(1S,6S)-3-(2-phenylmethoxypropan-2-yl)bicyclo[4.1.0]heptane
CID 11042990
4-cyclopentyl-2-[hydroxy(phenyl)methyl]-4-methylpentanenitrile
CID 10778537
2-cyclohexyl-2-hydroxy-2-phenylacetonitrile
CID 87077411

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-phenylmethoxypropanenitrile?
The IUPAC name of 2-cyclohexyl-2-phenylmethoxypropanenitrile (CID 154277038) is 2-cyclohexyl-2-phenylmethoxypropanenitrile.
What is the SMILES notation for 2-cyclohexyl-2-phenylmethoxypropanenitrile?
The canonical SMILES for 2-cyclohexyl-2-phenylmethoxypropanenitrile is CC(C#N)(OCc1ccccc1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-phenylmethoxypropanenitrile?
The InChIKey is VNBXZMARHWRGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-16(13-17,15-10-6-3-7-11-15)18-12-14-8-4-2-5-9-14/h2,4-5,8-9,15H,3,6-7,10-12H2,1H3.
What are the key properties of 2-cyclohexyl-2-phenylmethoxypropanenitrile?
2-cyclohexyl-2-phenylmethoxypropanenitrile has a molecular weight of 243.35 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-phenylmethoxypropanenitrile is sourced from PubChem (CID 154277038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).