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

C10H10Cl2O2 — CID 12529871

IUPAC2-(dichloromethyl)-2-phenyl-1,3-dioxolane
SMILESClC(Cl)C1(c2ccccc2)OCCO1
InChIInChI=1S/C10H10Cl2O2/c11-9(12)10(13-6-7-14-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyJIVHJKDKWKTJHH-UHFFFAOYSA-N
MW233.09 g/mol
LogP2.69
Rot. Bonds2

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

2-(dichloromethyl)-2-phenyl-1,3-dioxolane (PubChem CID 12529871) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is 2-(dichloromethyl)-2-phenyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(dichloromethyl)-2-phenyl-1,3-dioxolane
PubChem CID12529871
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Name2-(dichloromethyl)-2-phenyl-1,3-dioxolane
SMILESClC(Cl)C1(c2ccccc2)OCCO1
InChIInChI=1S/C10H10Cl2O2/c11-9(12)10(13-6-7-14-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyJIVHJKDKWKTJHH-UHFFFAOYSA-N
XLogP2.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 52.69
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-(dichloromethyl)-2-phenyl-1,3-dioxolane?
The IUPAC name of 2-(dichloromethyl)-2-phenyl-1,3-dioxolane (CID 12529871) is 2-(dichloromethyl)-2-phenyl-1,3-dioxolane.
What is the SMILES notation for 2-(dichloromethyl)-2-phenyl-1,3-dioxolane?
The canonical SMILES for 2-(dichloromethyl)-2-phenyl-1,3-dioxolane is ClC(Cl)C1(c2ccccc2)OCCO1.
What is the InChIKey of 2-(dichloromethyl)-2-phenyl-1,3-dioxolane?
The InChIKey is JIVHJKDKWKTJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c11-9(12)10(13-6-7-14-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 2-(dichloromethyl)-2-phenyl-1,3-dioxolane?
2-(dichloromethyl)-2-phenyl-1,3-dioxolane has a molecular weight of 233.09 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dichloromethyl)-2-phenyl-1,3-dioxolane is sourced from PubChem (CID 12529871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).