4-(chloromethyl)-2,2-diphenyl-1,3-dioxolane

C16H15ClO2 — CID 11836437

IUPAC4-(chloromethyl)-2,2-diphenyl-1,3-dioxolane
SMILESClCC1COC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C16H15ClO2/c17-11-15-12-18-16(19-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKeyMTGKBVQFXBOSCH-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.54
Rot. Bonds3

About 4-(chloromethyl)-2,2-diphenyl-1,3-dioxolane

4-(chloromethyl)-2,2-diphenyl-1,3-dioxolane (PubChem CID 11836437) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-(chloromethyl)-2,2-diphenyl-1,3-dioxolane.

Molecular Properties

Compound Name4-(chloromethyl)-2,2-diphenyl-1,3-dioxolane
PubChem CID11836437
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name4-(chloromethyl)-2,2-diphenyl-1,3-dioxolane
SMILESClCC1COC(c2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C16H15ClO2/c17-11-15-12-18-16(19-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKeyMTGKBVQFXBOSCH-UHFFFAOYSA-N
XLogP3.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.54
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 4-(chloromethyl)-2,2-diphenyl-1,3-dioxolane?
The IUPAC name of 4-(chloromethyl)-2,2-diphenyl-1,3-dioxolane (CID 11836437) is 4-(chloromethyl)-2,2-diphenyl-1,3-dioxolane.
What is the SMILES notation for 4-(chloromethyl)-2,2-diphenyl-1,3-dioxolane?
The canonical SMILES for 4-(chloromethyl)-2,2-diphenyl-1,3-dioxolane is ClCC1COC(c2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 4-(chloromethyl)-2,2-diphenyl-1,3-dioxolane?
The InChIKey is MTGKBVQFXBOSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c17-11-15-12-18-16(19-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2.
What are the key properties of 4-(chloromethyl)-2,2-diphenyl-1,3-dioxolane?
4-(chloromethyl)-2,2-diphenyl-1,3-dioxolane has a molecular weight of 274.75 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2,2-diphenyl-1,3-dioxolane is sourced from PubChem (CID 11836437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).