2-(3-bromopropyl)-2-(4-chlorophenyl)-1,3-dioxolane

C12H14BrClO2 — CID 20547900

IUPAC2-(3-bromopropyl)-2-(4-chlorophenyl)-1,3-dioxolane
SMILESClc1ccc(C2(CCCBr)OCCO2)cc1
InChIInChI=1S/C12H14BrClO2/c13-7-1-6-12(15-8-9-16-12)10-2-4-11(14)5-3-10/h2-5H,1,6-9H2
InChIKeyWIOYZYOAGPULBA-UHFFFAOYSA-N
MW305.60 g/mol
LogP3.71
Rot. Bonds4

About 2-(3-bromopropyl)-2-(4-chlorophenyl)-1,3-dioxolane

2-(3-bromopropyl)-2-(4-chlorophenyl)-1,3-dioxolane (PubChem CID 20547900) has the molecular formula C12H14BrClO2 and a molecular weight of 305.60 g/mol. Its IUPAC name is 2-(3-bromopropyl)-2-(4-chlorophenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(3-bromopropyl)-2-(4-chlorophenyl)-1,3-dioxolane
PubChem CID20547900
Molecular FormulaC12H14BrClO2
Molecular Weight305.60 g/mol
Exact Mass303.99
IUPAC Name2-(3-bromopropyl)-2-(4-chlorophenyl)-1,3-dioxolane
SMILESClc1ccc(C2(CCCBr)OCCO2)cc1
InChIInChI=1S/C12H14BrClO2/c13-7-1-6-12(15-8-9-16-12)10-2-4-11(14)5-3-10/h2-5H,1,6-9H2
InChIKeyWIOYZYOAGPULBA-UHFFFAOYSA-N
XLogP3.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-bromopropyl)-2-(4-chlorophenyl)-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-(3-bromopropyl)-2-(4-chlorophenyl)-1,3-dioxolane?
The IUPAC name of 2-(3-bromopropyl)-2-(4-chlorophenyl)-1,3-dioxolane (CID 20547900) is 2-(3-bromopropyl)-2-(4-chlorophenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(3-bromopropyl)-2-(4-chlorophenyl)-1,3-dioxolane?
The canonical SMILES for 2-(3-bromopropyl)-2-(4-chlorophenyl)-1,3-dioxolane is Clc1ccc(C2(CCCBr)OCCO2)cc1.
What is the InChIKey of 2-(3-bromopropyl)-2-(4-chlorophenyl)-1,3-dioxolane?
The InChIKey is WIOYZYOAGPULBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClO2/c13-7-1-6-12(15-8-9-16-12)10-2-4-11(14)5-3-10/h2-5H,1,6-9H2.
What are the key properties of 2-(3-bromopropyl)-2-(4-chlorophenyl)-1,3-dioxolane?
2-(3-bromopropyl)-2-(4-chlorophenyl)-1,3-dioxolane has a molecular weight of 305.60 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropyl)-2-(4-chlorophenyl)-1,3-dioxolane is sourced from PubChem (CID 20547900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).