2-[3-(4-chlorophenyl)phenyl]-1,3-dioxolane

C15H13ClO2 — CID 170874296

IUPAC2-[3-(4-chlorophenyl)phenyl]-1,3-dioxolane
SMILESClc1ccc(-c2cccc(C3OCCO3)c2)cc1
InChIInChI=1S/C15H13ClO2/c16-14-6-4-11(5-7-14)12-2-1-3-13(10-12)15-17-8-9-18-15/h1-7,10,15H,8-9H2
InChIKeyQFILCFDGKPVVHE-UHFFFAOYSA-N
MW260.72 g/mol
LogP4.05
Rot. Bonds2

About 2-[3-(4-chlorophenyl)phenyl]-1,3-dioxolane

2-[3-(4-chlorophenyl)phenyl]-1,3-dioxolane (PubChem CID 170874296) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)phenyl]-1,3-dioxolane
PubChem CID170874296
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name2-[3-(4-chlorophenyl)phenyl]-1,3-dioxolane
SMILESClc1ccc(-c2cccc(C3OCCO3)c2)cc1
InChIInChI=1S/C15H13ClO2/c16-14-6-4-11(5-7-14)12-2-1-3-13(10-12)15-17-8-9-18-15/h1-7,10,15H,8-9H2
InChIKeyQFILCFDGKPVVHE-UHFFFAOYSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)phenyl]-1,3-dioxolane?
The IUPAC name of 2-[3-(4-chlorophenyl)phenyl]-1,3-dioxolane (CID 170874296) is 2-[3-(4-chlorophenyl)phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[3-(4-chlorophenyl)phenyl]-1,3-dioxolane?
The canonical SMILES for 2-[3-(4-chlorophenyl)phenyl]-1,3-dioxolane is Clc1ccc(-c2cccc(C3OCCO3)c2)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)phenyl]-1,3-dioxolane?
The InChIKey is QFILCFDGKPVVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c16-14-6-4-11(5-7-14)12-2-1-3-13(10-12)15-17-8-9-18-15/h1-7,10,15H,8-9H2.
What are the key properties of 2-[3-(4-chlorophenyl)phenyl]-1,3-dioxolane?
2-[3-(4-chlorophenyl)phenyl]-1,3-dioxolane has a molecular weight of 260.72 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)phenyl]-1,3-dioxolane is sourced from PubChem (CID 170874296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).