2-(2-chloro-6-methoxyphenyl)-2-methoxyacetonitrile

C10H10ClNO2 — CID 104819014

IUPAC2-(2-chloro-6-methoxyphenyl)-2-methoxyacetonitrile
SMILESCOc1cccc(Cl)c1C(C#N)OC
InChIInChI=1S/C10H10ClNO2/c1-13-8-5-3-4-7(11)10(8)9(6-12)14-2/h3-5,9H,1-2H3
InChIKeyODPAEQPCAQWWHX-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.56
Rot. Bonds3

About 2-(2-chloro-6-methoxyphenyl)-2-methoxyacetonitrile

2-(2-chloro-6-methoxyphenyl)-2-methoxyacetonitrile (PubChem CID 104819014) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxyphenyl)-2-methoxyacetonitrile.

Molecular Properties

Compound Name2-(2-chloro-6-methoxyphenyl)-2-methoxyacetonitrile
PubChem CID104819014
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name2-(2-chloro-6-methoxyphenyl)-2-methoxyacetonitrile
SMILESCOc1cccc(Cl)c1C(C#N)OC
InChIInChI=1S/C10H10ClNO2/c1-13-8-5-3-4-7(11)10(8)9(6-12)14-2/h3-5,9H,1-2H3
InChIKeyODPAEQPCAQWWHX-UHFFFAOYSA-N
XLogP2.56
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-6-methoxyphenyl)-2-methoxyacetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-chloro-6-methoxyphenyl)-hydroxymethyl]butanenitrile
CID 104819040
2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylamino)acetonitrile
CID 104816442
3-(2-chloro-6-methoxyphenyl)-3-hydroxy-2,2-dimethylpropanenitrile
CID 104819043
2-(2-chloro-6-methoxyphenyl)-2-(2-methylanilino)acetonitrile
CID 104816454
2-(2-chloro-6-methoxyphenyl)-2-morpholin-4-ylacetonitrile
CID 113456484
2-(4-bromoanilino)-2-(2-chloro-6-methoxyphenyl)acetonitrile
CID 104816447
(1S)-1-(2-chloro-6-methoxyphenyl)-2-methylpropan-1-amine
CID 130848215
1-[(2-chloro-6-methoxyphenyl)-hydroxymethyl]cyclopentane-1-carbonitrile
CID 104819037
2-(2-chloro-6-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 104816461
2-(2-chloro-6-methoxyphenyl)-2-(1,4-diazepan-1-yl)acetonitrile
CID 104816463
1-(2-chloro-6-methoxyphenyl)ethoxy-triethylsilane
CID 123207858
2-amino-1-(2-chloro-6-methoxyphenyl)propan-1-ol
CID 84681417

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methoxyphenyl)-2-methoxyacetonitrile?
The IUPAC name of 2-(2-chloro-6-methoxyphenyl)-2-methoxyacetonitrile (CID 104819014) is 2-(2-chloro-6-methoxyphenyl)-2-methoxyacetonitrile.
What is the SMILES notation for 2-(2-chloro-6-methoxyphenyl)-2-methoxyacetonitrile?
The canonical SMILES for 2-(2-chloro-6-methoxyphenyl)-2-methoxyacetonitrile is COc1cccc(Cl)c1C(C#N)OC.
What is the InChIKey of 2-(2-chloro-6-methoxyphenyl)-2-methoxyacetonitrile?
The InChIKey is ODPAEQPCAQWWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-13-8-5-3-4-7(11)10(8)9(6-12)14-2/h3-5,9H,1-2H3.
What are the key properties of 2-(2-chloro-6-methoxyphenyl)-2-methoxyacetonitrile?
2-(2-chloro-6-methoxyphenyl)-2-methoxyacetonitrile has a molecular weight of 211.65 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxyphenyl)-2-methoxyacetonitrile is sourced from PubChem (CID 104819014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).