(2R)-2-(4-chlorophenyl)-4-methoxy-3-oxobutanenitrile

C11H10ClNO2 — CID 41137891

IUPAC(2R)-2-(4-chlorophenyl)-4-methoxy-3-oxobutanenitrile
SMILESCOCC(=O)[C@@H](C#N)c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClNO2/c1-15-7-11(14)10(6-13)8-2-4-9(12)5-3-8/h2-5,10H,7H2,1H3/t10-/m0/s1
InChIKeyYNXFZCBNXJAIQQ-JTQLQIEISA-N
MW223.66 g/mol
LogP2.16
Rot. Bonds4

About (2R)-2-(4-chlorophenyl)-4-methoxy-3-oxobutanenitrile

(2R)-2-(4-chlorophenyl)-4-methoxy-3-oxobutanenitrile (PubChem CID 41137891) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-4-methoxy-3-oxobutanenitrile.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-4-methoxy-3-oxobutanenitrile
PubChem CID41137891
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name(2R)-2-(4-chlorophenyl)-4-methoxy-3-oxobutanenitrile
SMILESCOCC(=O)[C@@H](C#N)c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClNO2/c1-15-7-11(14)10(6-13)8-2-4-9(12)5-3-8/h2-5,10H,7H2,1H3/t10-/m0/s1
InChIKeyYNXFZCBNXJAIQQ-JTQLQIEISA-N
XLogP2.16
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-chlorophenyl)-3-oxobutanenitrile
CID 773172
1-(4-chlorophenyl)-1,3-dimethoxypropan-2-one
CID 14813833
2-(4-chlorophenyl)-4-methyl-3-oxohexanenitrile
CID 43156880
2-(4-fluorophenyl)-5-methoxy-3-oxopentanenitrile
CID 43156915
2-(4-chlorophenyl)-5-cyclopentyl-3-oxopentanenitrile
CID 43156875
2-(4-chlorophenyl)-3-oxo-4-(oxolan-2-yl)butanenitrile
CID 65155523
2-(3-chloro-4-methoxyphenyl)-5-methoxy-3-oxopentanenitrile
CID 112511045
[(R)-(4-chlorophenyl)-cyanomethyl] methyl carbonate
CID 102420635
2-(4-methylphenyl)-3-oxopentanenitrile
CID 11074143
N-[1-(4-chlorophenyl)ethyl]-2-methoxyacetamide
CID 18374039
2-(4-chlorophenyl)-3-(3,4-dimethylphenyl)-3-oxopropanenitrile
CID 43334171
[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate
CID 8945656

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-4-methoxy-3-oxobutanenitrile?
The IUPAC name of (2R)-2-(4-chlorophenyl)-4-methoxy-3-oxobutanenitrile (CID 41137891) is (2R)-2-(4-chlorophenyl)-4-methoxy-3-oxobutanenitrile.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-4-methoxy-3-oxobutanenitrile?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-4-methoxy-3-oxobutanenitrile is COCC(=O)[C@@H](C#N)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-4-methoxy-3-oxobutanenitrile?
The InChIKey is YNXFZCBNXJAIQQ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-15-7-11(14)10(6-13)8-2-4-9(12)5-3-8/h2-5,10H,7H2,1H3/t10-/m0/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-4-methoxy-3-oxobutanenitrile?
(2R)-2-(4-chlorophenyl)-4-methoxy-3-oxobutanenitrile has a molecular weight of 223.66 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-4-methoxy-3-oxobutanenitrile is sourced from PubChem (CID 41137891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).