3-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]benzonitrile

C15H10ClNO2 — CID 11231077

IUPAC3-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]benzonitrile
SMILESN#Cc1cccc(C(=O)[C@H](O)c2ccccc2Cl)c1
InChIInChI=1S/C15H10ClNO2/c16-13-7-2-1-6-12(13)15(19)14(18)11-5-3-4-10(8-11)9-17/h1-8,15,19H/t15-/m1/s1
InChIKeyJIJKNFABWPLYQG-OAHLLOKOSA-N
MW271.70 g/mol
LogP3.13
Rot. Bonds3

About 3-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]benzonitrile

3-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]benzonitrile (PubChem CID 11231077) has the molecular formula C15H10ClNO2 and a molecular weight of 271.70 g/mol. Its IUPAC name is 3-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]benzonitrile.

Molecular Properties

Compound Name3-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]benzonitrile
PubChem CID11231077
Molecular FormulaC15H10ClNO2
Molecular Weight271.70 g/mol
Exact Mass271.04
IUPAC Name3-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]benzonitrile
SMILESN#Cc1cccc(C(=O)[C@H](O)c2ccccc2Cl)c1
InChIInChI=1S/C15H10ClNO2/c16-13-7-2-1-6-12(13)15(19)14(18)11-5-3-4-10(8-11)9-17/h1-8,15,19H/t15-/m1/s1
InChIKeyJIJKNFABWPLYQG-OAHLLOKOSA-N
XLogP3.13
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]benzonitrile?
The IUPAC name of 3-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]benzonitrile (CID 11231077) is 3-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]benzonitrile.
What is the SMILES notation for 3-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]benzonitrile?
The canonical SMILES for 3-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]benzonitrile is N#Cc1cccc(C(=O)[C@H](O)c2ccccc2Cl)c1.
What is the InChIKey of 3-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]benzonitrile?
The InChIKey is JIJKNFABWPLYQG-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H10ClNO2/c16-13-7-2-1-6-12(13)15(19)14(18)11-5-3-4-10(8-11)9-17/h1-8,15,19H/t15-/m1/s1.
What are the key properties of 3-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]benzonitrile?
3-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]benzonitrile has a molecular weight of 271.70 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]benzonitrile is sourced from PubChem (CID 11231077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).