3-[(3-chlorophenyl)methoxy]propanenitrile

C10H10ClNO — CID 65126354

IUPAC3-[(3-chlorophenyl)methoxy]propanenitrile
SMILESN#CCCOCc1cccc(Cl)c1
InChIInChI=1S/C10H10ClNO/c11-10-4-1-3-9(7-10)8-13-6-2-5-12/h1,3-4,7H,2,6,8H2
InChIKeyFDRSNAOLTKQLSR-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.77
Rot. Bonds4

About 3-[(3-chlorophenyl)methoxy]propanenitrile

3-[(3-chlorophenyl)methoxy]propanenitrile (PubChem CID 65126354) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methoxy]propanenitrile.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methoxy]propanenitrile
PubChem CID65126354
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name3-[(3-chlorophenyl)methoxy]propanenitrile
SMILESN#CCCOCc1cccc(Cl)c1
InChIInChI=1S/C10H10ClNO/c11-10-4-1-3-9(7-10)8-13-6-2-5-12/h1,3-4,7H,2,6,8H2
InChIKeyFDRSNAOLTKQLSR-UHFFFAOYSA-N
XLogP2.77
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(3-chlorophenyl)methoxy]propanenitrile 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 3-[(3-chlorophenyl)methoxy]propanenitrile?
The IUPAC name of 3-[(3-chlorophenyl)methoxy]propanenitrile (CID 65126354) is 3-[(3-chlorophenyl)methoxy]propanenitrile.
What is the SMILES notation for 3-[(3-chlorophenyl)methoxy]propanenitrile?
The canonical SMILES for 3-[(3-chlorophenyl)methoxy]propanenitrile is N#CCCOCc1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methoxy]propanenitrile?
The InChIKey is FDRSNAOLTKQLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c11-10-4-1-3-9(7-10)8-13-6-2-5-12/h1,3-4,7H,2,6,8H2.
What are the key properties of 3-[(3-chlorophenyl)methoxy]propanenitrile?
3-[(3-chlorophenyl)methoxy]propanenitrile has a molecular weight of 195.65 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methoxy]propanenitrile is sourced from PubChem (CID 65126354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).