2-(2,3-dichlorophenoxy)-4-methylcyclohexane-1-carbonitrile

C14H15Cl2NO — CID 43292610

IUPAC2-(2,3-dichlorophenoxy)-4-methylcyclohexane-1-carbonitrile
SMILESCC1CCC(C#N)C(Oc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C14H15Cl2NO/c1-9-5-6-10(8-17)13(7-9)18-12-4-2-3-11(15)14(12)16/h2-4,9-10,13H,5-7H2,1H3
InChIKeyCRVAGDQSSSSFDP-UHFFFAOYSA-N
MW284.19 g/mol
LogP4.70
Rot. Bonds2

About 2-(2,3-dichlorophenoxy)-4-methylcyclohexane-1-carbonitrile

2-(2,3-dichlorophenoxy)-4-methylcyclohexane-1-carbonitrile (PubChem CID 43292610) has the molecular formula C14H15Cl2NO and a molecular weight of 284.19 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)-4-methylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(2,3-dichlorophenoxy)-4-methylcyclohexane-1-carbonitrile
PubChem CID43292610
Molecular FormulaC14H15Cl2NO
Molecular Weight284.19 g/mol
Exact Mass283.05
IUPAC Name2-(2,3-dichlorophenoxy)-4-methylcyclohexane-1-carbonitrile
SMILESCC1CCC(C#N)C(Oc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C14H15Cl2NO/c1-9-5-6-10(8-17)13(7-9)18-12-4-2-3-11(15)14(12)16/h2-4,9-10,13H,5-7H2,1H3
InChIKeyCRVAGDQSSSSFDP-UHFFFAOYSA-N
XLogP4.70
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,3-dichlorophenoxy)-4-methylcyclohexane-1-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)-4-methylcyclohexane-1-carbonitrile?
The IUPAC name of 2-(2,3-dichlorophenoxy)-4-methylcyclohexane-1-carbonitrile (CID 43292610) is 2-(2,3-dichlorophenoxy)-4-methylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(2,3-dichlorophenoxy)-4-methylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-(2,3-dichlorophenoxy)-4-methylcyclohexane-1-carbonitrile is CC1CCC(C#N)C(Oc2cccc(Cl)c2Cl)C1.
What is the InChIKey of 2-(2,3-dichlorophenoxy)-4-methylcyclohexane-1-carbonitrile?
The InChIKey is CRVAGDQSSSSFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO/c1-9-5-6-10(8-17)13(7-9)18-12-4-2-3-11(15)14(12)16/h2-4,9-10,13H,5-7H2,1H3.
What are the key properties of 2-(2,3-dichlorophenoxy)-4-methylcyclohexane-1-carbonitrile?
2-(2,3-dichlorophenoxy)-4-methylcyclohexane-1-carbonitrile has a molecular weight of 284.19 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenoxy)-4-methylcyclohexane-1-carbonitrile is sourced from PubChem (CID 43292610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).