2-(3-chloropropyl)-2-phenyl-1,3-dioxolane

C12H15ClO2 — CID 12866338

IUPAC2-(3-chloropropyl)-2-phenyl-1,3-dioxolane
SMILESClCCCC1(c2ccccc2)OCCO1
InChIInChI=1S/C12H15ClO2/c13-8-4-7-12(14-9-10-15-12)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2
InChIKeyMNGUYQVJFSKJOJ-UHFFFAOYSA-N
MW226.70 g/mol
LogP2.91
Rot. Bonds4

About 2-(3-chloropropyl)-2-phenyl-1,3-dioxolane

2-(3-chloropropyl)-2-phenyl-1,3-dioxolane (PubChem CID 12866338) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 2-(3-chloropropyl)-2-phenyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(3-chloropropyl)-2-phenyl-1,3-dioxolane
PubChem CID12866338
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name2-(3-chloropropyl)-2-phenyl-1,3-dioxolane
SMILESClCCCC1(c2ccccc2)OCCO1
InChIInChI=1S/C12H15ClO2/c13-8-4-7-12(14-9-10-15-12)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2
InChIKeyMNGUYQVJFSKJOJ-UHFFFAOYSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-2-phenyl-1,3-dioxolane?
The IUPAC name of 2-(3-chloropropyl)-2-phenyl-1,3-dioxolane (CID 12866338) is 2-(3-chloropropyl)-2-phenyl-1,3-dioxolane.
What is the SMILES notation for 2-(3-chloropropyl)-2-phenyl-1,3-dioxolane?
The canonical SMILES for 2-(3-chloropropyl)-2-phenyl-1,3-dioxolane is ClCCCC1(c2ccccc2)OCCO1.
What is the InChIKey of 2-(3-chloropropyl)-2-phenyl-1,3-dioxolane?
The InChIKey is MNGUYQVJFSKJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c13-8-4-7-12(14-9-10-15-12)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2.
What are the key properties of 2-(3-chloropropyl)-2-phenyl-1,3-dioxolane?
2-(3-chloropropyl)-2-phenyl-1,3-dioxolane has a molecular weight of 226.70 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-2-phenyl-1,3-dioxolane is sourced from PubChem (CID 12866338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).