2-(2-chlorophenyl)-1,3-dioxolane

C9H9ClO2 — CID 4054551

IUPAC2-(2-chlorophenyl)-1,3-dioxolane
SMILESClc1ccccc1C1OCCO1
InChIInChI=1S/C9H9ClO2/c10-8-4-2-1-3-7(8)9-11-5-6-12-9/h1-4,9H,5-6H2
InChIKeyGAZHHIWZNZPXQM-UHFFFAOYSA-N
MW184.62 g/mol
LogP2.39
Rot. Bonds1

About 2-(2-chlorophenyl)-1,3-dioxolane

2-(2-chlorophenyl)-1,3-dioxolane (PubChem CID 4054551) has the molecular formula C9H9ClO2 and a molecular weight of 184.62 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1,3-dioxolane
PubChem CID4054551
Molecular FormulaC9H9ClO2
Molecular Weight184.62 g/mol
Exact Mass184.03
IUPAC Name2-(2-chlorophenyl)-1,3-dioxolane
SMILESClc1ccccc1C1OCCO1
InChIInChI=1S/C9H9ClO2/c10-8-4-2-1-3-7(8)9-11-5-6-12-9/h1-4,9H,5-6H2
InChIKeyGAZHHIWZNZPXQM-UHFFFAOYSA-N
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.62
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1,3-dioxolane?
The IUPAC name of 2-(2-chlorophenyl)-1,3-dioxolane (CID 4054551) is 2-(2-chlorophenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2-chlorophenyl)-1,3-dioxolane?
The canonical SMILES for 2-(2-chlorophenyl)-1,3-dioxolane is Clc1ccccc1C1OCCO1.
What is the InChIKey of 2-(2-chlorophenyl)-1,3-dioxolane?
The InChIKey is GAZHHIWZNZPXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO2/c10-8-4-2-1-3-7(8)9-11-5-6-12-9/h1-4,9H,5-6H2.
What are the key properties of 2-(2-chlorophenyl)-1,3-dioxolane?
2-(2-chlorophenyl)-1,3-dioxolane has a molecular weight of 184.62 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1,3-dioxolane is sourced from PubChem (CID 4054551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).