2-(2-chloro-5-methoxy-4-methylphenyl)acetonitrile

C10H10ClNO — CID 84773814

IUPAC2-(2-chloro-5-methoxy-4-methylphenyl)acetonitrile
SMILESCOc1cc(CC#N)c(Cl)cc1C
InChIInChI=1S/C10H10ClNO/c1-7-5-9(11)8(3-4-12)6-10(7)13-2/h5-6H,3H2,1-2H3
InChIKeyVNXWZPKDKUBBPH-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.72
Rot. Bonds2

About 2-(2-chloro-5-methoxy-4-methylphenyl)acetonitrile

2-(2-chloro-5-methoxy-4-methylphenyl)acetonitrile (PubChem CID 84773814) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 2-(2-chloro-5-methoxy-4-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(2-chloro-5-methoxy-4-methylphenyl)acetonitrile
PubChem CID84773814
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name2-(2-chloro-5-methoxy-4-methylphenyl)acetonitrile
SMILESCOc1cc(CC#N)c(Cl)cc1C
InChIInChI=1S/C10H10ClNO/c1-7-5-9(11)8(3-4-12)6-10(7)13-2/h5-6H,3H2,1-2H3
InChIKeyVNXWZPKDKUBBPH-UHFFFAOYSA-N
XLogP2.72
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-chloro-4-methylphenyl)acetonitrile
CID 131491590
2-(4-amino-2-chloro-5-methylphenyl)acetonitrile
CID 131368499
2-(4-chloro-5-fluoro-2-methoxyphenyl)acetonitrile
CID 171007005
(2-chloro-4-methoxy-5-methylphenyl)methanamine
CID 57458151
2-(4-hydroxy-5-methoxy-2,3-dimethylphenyl)acetonitrile
CID 117282299
2-(4-chloro-3-methoxy-5-methylphenyl)acetonitrile
CID 84773818
2-(4-chloro-5-iodo-2-methylphenyl)acetonitrile
CID 171004334
2-(5-chloro-2-fluoro-3-methoxyphenyl)acetonitrile
CID 84775470
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)acetonitrile
CID 84781042
2-[2-(5-chloro-4-methoxy-2-methylphenyl)ethylamino]acetonitrile
CID 115131221
5-(cyanomethyl)-6-(difluoromethyl)-3-methoxypyridine-2-carbonitrile
CID 134664614
3-(2-bromo-5-methoxy-4-methylphenyl)propanenitrile
CID 68530926

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methoxy-4-methylphenyl)acetonitrile?
The IUPAC name of 2-(2-chloro-5-methoxy-4-methylphenyl)acetonitrile (CID 84773814) is 2-(2-chloro-5-methoxy-4-methylphenyl)acetonitrile.
What is the SMILES notation for 2-(2-chloro-5-methoxy-4-methylphenyl)acetonitrile?
The canonical SMILES for 2-(2-chloro-5-methoxy-4-methylphenyl)acetonitrile is COc1cc(CC#N)c(Cl)cc1C.
What is the InChIKey of 2-(2-chloro-5-methoxy-4-methylphenyl)acetonitrile?
The InChIKey is VNXWZPKDKUBBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c1-7-5-9(11)8(3-4-12)6-10(7)13-2/h5-6H,3H2,1-2H3.
What are the key properties of 2-(2-chloro-5-methoxy-4-methylphenyl)acetonitrile?
2-(2-chloro-5-methoxy-4-methylphenyl)acetonitrile has a molecular weight of 195.65 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methoxy-4-methylphenyl)acetonitrile is sourced from PubChem (CID 84773814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).