2-[2-(3-chloroprop-1-enyl)phenyl]-1,3-dioxolane

C12H13ClO2 — CID 169477990

IUPAC2-[2-(3-chloroprop-1-enyl)phenyl]-1,3-dioxolane
SMILESClCC=Cc1ccccc1C1OCCO1
InChIInChI=1S/C12H13ClO2/c13-7-3-5-10-4-1-2-6-11(10)12-14-8-9-15-12/h1-6,12H,7-9H2
InChIKeyXEBGMBUZOLZAOJ-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.98
Rot. Bonds3

About 2-[2-(3-chloroprop-1-enyl)phenyl]-1,3-dioxolane

2-[2-(3-chloroprop-1-enyl)phenyl]-1,3-dioxolane (PubChem CID 169477990) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-[2-(3-chloroprop-1-enyl)phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(3-chloroprop-1-enyl)phenyl]-1,3-dioxolane
PubChem CID169477990
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Name2-[2-(3-chloroprop-1-enyl)phenyl]-1,3-dioxolane
SMILESClCC=Cc1ccccc1C1OCCO1
InChIInChI=1S/C12H13ClO2/c13-7-3-5-10-4-1-2-6-11(10)12-14-8-9-15-12/h1-6,12H,7-9H2
InChIKeyXEBGMBUZOLZAOJ-UHFFFAOYSA-N
XLogP2.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(3-chloroprop-1-enyl)phenyl]-1,3-dioxolane 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-chloroprop-1-enyl)phenyl]-1,3-dioxolane?
The IUPAC name of 2-[2-(3-chloroprop-1-enyl)phenyl]-1,3-dioxolane (CID 169477990) is 2-[2-(3-chloroprop-1-enyl)phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-(3-chloroprop-1-enyl)phenyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-(3-chloroprop-1-enyl)phenyl]-1,3-dioxolane is ClCC=Cc1ccccc1C1OCCO1.
What is the InChIKey of 2-[2-(3-chloroprop-1-enyl)phenyl]-1,3-dioxolane?
The InChIKey is XEBGMBUZOLZAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO2/c13-7-3-5-10-4-1-2-6-11(10)12-14-8-9-15-12/h1-6,12H,7-9H2.
What are the key properties of 2-[2-(3-chloroprop-1-enyl)phenyl]-1,3-dioxolane?
2-[2-(3-chloroprop-1-enyl)phenyl]-1,3-dioxolane has a molecular weight of 224.69 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloroprop-1-enyl)phenyl]-1,3-dioxolane is sourced from PubChem (CID 169477990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).