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

C11H13ClO2 — CID 102163932

IUPAC2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolane
SMILESClc1ccc(CCC2OCCO2)cc1
InChIInChI=1S/C11H13ClO2/c12-10-4-1-9(2-5-10)3-6-11-13-7-8-14-11/h1-2,4-5,11H,3,6-8H2
InChIKeyDVOQBOWYURKGAL-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.65
Rot. Bonds3

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

2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolane (PubChem CID 102163932) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolane
PubChem CID102163932
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolane
SMILESClc1ccc(CCC2OCCO2)cc1
InChIInChI=1S/C11H13ClO2/c12-10-4-1-9(2-5-10)3-6-11-13-7-8-14-11/h1-2,4-5,11H,3,6-8H2
InChIKeyDVOQBOWYURKGAL-UHFFFAOYSA-N
XLogP2.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolane?
The IUPAC name of 2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolane (CID 102163932) is 2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolane is Clc1ccc(CCC2OCCO2)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolane?
The InChIKey is DVOQBOWYURKGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c12-10-4-1-9(2-5-10)3-6-11-13-7-8-14-11/h1-2,4-5,11H,3,6-8H2.
What are the key properties of 2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolane?
2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolane has a molecular weight of 212.68 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethyl]-1,3-dioxolane is sourced from PubChem (CID 102163932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).