2-(3-chlorophenyl)propanoyl chloride

C9H8Cl2O — CID 11651355

IUPAC2-(3-chlorophenyl)propanoyl chloride
SMILESCC(C(=O)Cl)c1cccc(Cl)c1
InChIInChI=1S/C9H8Cl2O/c1-6(9(11)12)7-3-2-4-8(10)5-7/h2-6H,1H3
InChIKeyZPSLDZPXSBKLTF-UHFFFAOYSA-N
MW203.07 g/mol
LogP3.21
Rot. Bonds2

About 2-(3-chlorophenyl)propanoyl chloride

2-(3-chlorophenyl)propanoyl chloride (PubChem CID 11651355) has the molecular formula C9H8Cl2O and a molecular weight of 203.07 g/mol. Its IUPAC name is 2-(3-chlorophenyl)propanoyl chloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)propanoyl chloride
PubChem CID11651355
Molecular FormulaC9H8Cl2O
Molecular Weight203.07 g/mol
Exact Mass202.00
IUPAC Name2-(3-chlorophenyl)propanoyl chloride
SMILESCC(C(=O)Cl)c1cccc(Cl)c1
InChIInChI=1S/C9H8Cl2O/c1-6(9(11)12)7-3-2-4-8(10)5-7/h2-6H,1H3
InChIKeyZPSLDZPXSBKLTF-UHFFFAOYSA-N
XLogP3.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(3-chlorophenyl)propanoyl chloride 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-(3-chlorophenyl)propanoyl chloride?
The IUPAC name of 2-(3-chlorophenyl)propanoyl chloride (CID 11651355) is 2-(3-chlorophenyl)propanoyl chloride.
What is the SMILES notation for 2-(3-chlorophenyl)propanoyl chloride?
The canonical SMILES for 2-(3-chlorophenyl)propanoyl chloride is CC(C(=O)Cl)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)propanoyl chloride?
The InChIKey is ZPSLDZPXSBKLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O/c1-6(9(11)12)7-3-2-4-8(10)5-7/h2-6H,1H3.
What are the key properties of 2-(3-chlorophenyl)propanoyl chloride?
2-(3-chlorophenyl)propanoyl chloride has a molecular weight of 203.07 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)propanoyl chloride is sourced from PubChem (CID 11651355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).