(2S)-2-cyclohexyl-2-hydroxy-2-phenylacetonitrile

C14H17NO — CID 134856178

IUPAC(2S)-2-cyclohexyl-2-hydroxy-2-phenylacetonitrile
SMILESN#C[C@@](O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C14H17NO/c15-11-14(16,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13,16H,2,5-6,9-10H2/t14-/m1/s1
InChIKeyGCDPXEFXIBVRBS-CQSZACIVSA-N
MW215.30 g/mol
LogP2.98
Rot. Bonds2

About (2S)-2-cyclohexyl-2-hydroxy-2-phenylacetonitrile

(2S)-2-cyclohexyl-2-hydroxy-2-phenylacetonitrile (PubChem CID 134856178) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2-hydroxy-2-phenylacetonitrile.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-2-hydroxy-2-phenylacetonitrile
PubChem CID134856178
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(2S)-2-cyclohexyl-2-hydroxy-2-phenylacetonitrile
SMILESN#C[C@@](O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C14H17NO/c15-11-14(16,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13,16H,2,5-6,9-10H2/t14-/m1/s1
InChIKeyGCDPXEFXIBVRBS-CQSZACIVSA-N
XLogP2.98
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-2-hydroxy-2-phenylacetonitrile
CID 87077411
2-(2-chlorophenyl)-2-cyclohexyl-2-hydroxyacetonitrile
CID 141323100
1-cyclopentyl-1-phenylpent-2-yn-1-ol
CID 59644486
4-cyclohexyl-4-hydroxy-4-phenylbutanenitrile
CID 22155872
4-(azepan-1-ium-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol
CID 3510563
1-cyclohexyl-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol
CID 24837075
4-(azepan-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol;hydrochloride
CID 2915878
1-cyclohexyl-1-phenyl-5-piperidin-1-ylpent-2-yn-1-ol
CID 2835413
(1R)-1-cyclopentyl-1-phenylethanol;sulfane
CID 158992083
(1R)-1-cyclopentyl-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol
CID 750153
3-(3-cyclohexyl-3-hydroxy-3-phenylprop-1-ynyl)-1-azabicyclo[2.2.2]octan-3-ol
CID 69293701
(1S)-1-cyclohexyl-4-morpholin-4-ium-4-yl-1-phenylbut-2-yn-1-ol
CID 7332936

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-2-hydroxy-2-phenylacetonitrile?
The IUPAC name of (2S)-2-cyclohexyl-2-hydroxy-2-phenylacetonitrile (CID 134856178) is (2S)-2-cyclohexyl-2-hydroxy-2-phenylacetonitrile.
What is the SMILES notation for (2S)-2-cyclohexyl-2-hydroxy-2-phenylacetonitrile?
The canonical SMILES for (2S)-2-cyclohexyl-2-hydroxy-2-phenylacetonitrile is N#C[C@@](O)(c1ccccc1)C1CCCCC1.
What is the InChIKey of (2S)-2-cyclohexyl-2-hydroxy-2-phenylacetonitrile?
The InChIKey is GCDPXEFXIBVRBS-CQSZACIVSA-N. The full InChI is InChI=1S/C14H17NO/c15-11-14(16,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13,16H,2,5-6,9-10H2/t14-/m1/s1.
What are the key properties of (2S)-2-cyclohexyl-2-hydroxy-2-phenylacetonitrile?
(2S)-2-cyclohexyl-2-hydroxy-2-phenylacetonitrile has a molecular weight of 215.30 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-2-hydroxy-2-phenylacetonitrile is sourced from PubChem (CID 134856178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).