(2R)-2-(2-chlorophenyl)-2-hydroxypropanenitrile

C9H8ClNO — CID 96566549

IUPAC(2R)-2-(2-chlorophenyl)-2-hydroxypropanenitrile
SMILESC[C@](O)(C#N)c1ccccc1Cl
InChIInChI=1S/C9H8ClNO/c1-9(12,6-11)7-4-2-3-5-8(7)10/h2-5,12H,1H3/t9-/m0/s1
InChIKeyZVBNSAWGGIBBJY-VIFPVBQESA-N
MW181.62 g/mol
LogP2.07
Rot. Bonds1

About (2R)-2-(2-chlorophenyl)-2-hydroxypropanenitrile

(2R)-2-(2-chlorophenyl)-2-hydroxypropanenitrile (PubChem CID 96566549) has the molecular formula C9H8ClNO and a molecular weight of 181.62 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-hydroxypropanenitrile.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-hydroxypropanenitrile
PubChem CID96566549
Molecular FormulaC9H8ClNO
Molecular Weight181.62 g/mol
Exact Mass181.03
IUPAC Name(2R)-2-(2-chlorophenyl)-2-hydroxypropanenitrile
SMILESC[C@](O)(C#N)c1ccccc1Cl
InChIInChI=1S/C9H8ClNO/c1-9(12,6-11)7-4-2-3-5-8(7)10/h2-5,12H,1H3/t9-/m0/s1
InChIKeyZVBNSAWGGIBBJY-VIFPVBQESA-N
XLogP2.07
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 52.07
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-(2-chlorophenyl)propan-2-ol
CID 12759846
(2S)-2-(2-chlorophenyl)but-3-en-2-ol
CID 46918958
2-hydroxy-2-naphthalen-1-ylpropanenitrile
CID 102137680
N-[2-(2-chlorophenyl)-2-hydroxypropyl]-2-cyano-2-methylpropanamide
CID 86793674
2-(2-chlorophenyl)-2-cyclohexyl-2-hydroxyacetonitrile
CID 141323100
2-(2-chlorophenyl)-3-cyano-2-methylpropanoic acid
CID 117049468
2-(2-chlorophenyl)-1-phenylpropan-2-ol
CID 43810130
2-(2-chlorophenyl)-4-methylpentan-2-ol
CID 43810129
1-chloro-2-(trifluoromethyl)benzene thiocyanate
CID 86593094
2-amino-2-(2-chlorophenyl)propan-1-ol
CID 54776181
1-chloro-2-(trichloromethyl)benzene
CID 16494
4-amino-2-(2-chlorophenyl)butan-2-ol;hydrochloride
CID 140625468

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-hydroxypropanenitrile?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-hydroxypropanenitrile (CID 96566549) is (2R)-2-(2-chlorophenyl)-2-hydroxypropanenitrile.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-hydroxypropanenitrile?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-hydroxypropanenitrile is C[C@](O)(C#N)c1ccccc1Cl.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-hydroxypropanenitrile?
The InChIKey is ZVBNSAWGGIBBJY-VIFPVBQESA-N. The full InChI is InChI=1S/C9H8ClNO/c1-9(12,6-11)7-4-2-3-5-8(7)10/h2-5,12H,1H3/t9-/m0/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-hydroxypropanenitrile?
(2R)-2-(2-chlorophenyl)-2-hydroxypropanenitrile has a molecular weight of 181.62 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-hydroxypropanenitrile is sourced from PubChem (CID 96566549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).