2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)acetonitrile

C10H10ClNO2 — CID 117302279

IUPAC2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)acetonitrile
SMILESCOc1c(O)cc(C)c(CC#N)c1Cl
InChIInChI=1S/C10H10ClNO2/c1-6-5-8(13)10(14-2)9(11)7(6)3-4-12/h5,13H,3H2,1-2H3
InChIKeyPDANSHTXTLOBJN-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.43
Rot. Bonds2

About 2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)acetonitrile

2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)acetonitrile (PubChem CID 117302279) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)acetonitrile
PubChem CID117302279
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)acetonitrile
SMILESCOc1c(O)cc(C)c(CC#N)c1Cl
InChIInChI=1S/C10H10ClNO2/c1-6-5-8(13)10(14-2)9(11)7(6)3-4-12/h5,13H,3H2,1-2H3
InChIKeyPDANSHTXTLOBJN-UHFFFAOYSA-N
XLogP2.43
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-methoxy-3,5-dimethylphenyl)acetonitrile
CID 84780993
3-chloro-4-(isocyanatomethyl)-2-methoxy-5-methylphenol
CID 117327581
2-(2-chloro-3,5,6-trimethoxyphenyl)acetonitrile
CID 117356095
2-(3-chloro-2-hydroxy-4,6-dimethylphenyl)acetonitrile
CID 84773777
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)acetonitrile
CID 84781042
2-(2-chloro-6-hydroxy-3-methylphenyl)acetonitrile
CID 84768638
2-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)acetonitrile
CID 115110965
2-(4-bromo-2-methoxy-3,6-dimethylphenyl)acetonitrile
CID 84804582
2-(2-bromo-6-fluoro-4-hydroxy-3-methoxyphenyl)acetonitrile
CID 117403738
2-[3,5-bis(cyanomethyl)-2,4,6-trimethoxyphenyl]acetonitrile
CID 86065154
2-chloro-4-hydroxy-3-methoxy-6-methylbenzaldehyde
CID 105453176
2-(5-chloro-3-fluoro-2-methoxy-6-methylphenyl)acetonitrile
CID 84783001

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)acetonitrile?
The IUPAC name of 2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)acetonitrile (CID 117302279) is 2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)acetonitrile.
What is the SMILES notation for 2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)acetonitrile?
The canonical SMILES for 2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)acetonitrile is COc1c(O)cc(C)c(CC#N)c1Cl.
What is the InChIKey of 2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)acetonitrile?
The InChIKey is PDANSHTXTLOBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-6-5-8(13)10(14-2)9(11)7(6)3-4-12/h5,13H,3H2,1-2H3.
What are the key properties of 2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)acetonitrile?
2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)acetonitrile has a molecular weight of 211.65 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)acetonitrile is sourced from PubChem (CID 117302279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).