2-(4-chlorophenyl)-2-methyloxolane

C11H13ClO — CID 56963782

IUPAC2-(4-chlorophenyl)-2-methyloxolane
SMILESCC1(c2ccc(Cl)cc2)CCCO1
InChIInChI=1S/C11H13ClO/c1-11(7-2-8-13-11)9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3
InChIKeyZDZZEVNVXMEWEO-UHFFFAOYSA-N
MW196.68 g/mol
LogP3.37
Rot. Bonds1

About 2-(4-chlorophenyl)-2-methyloxolane

2-(4-chlorophenyl)-2-methyloxolane (PubChem CID 56963782) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-methyloxolane.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-methyloxolane
PubChem CID56963782
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name2-(4-chlorophenyl)-2-methyloxolane
SMILESCC1(c2ccc(Cl)cc2)CCCO1
InChIInChI=1S/C11H13ClO/c1-11(7-2-8-13-11)9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3
InChIKeyZDZZEVNVXMEWEO-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(4-chlorophenyl)-2-methyloxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-methyloxolane?
The IUPAC name of 2-(4-chlorophenyl)-2-methyloxolane (CID 56963782) is 2-(4-chlorophenyl)-2-methyloxolane.
What is the SMILES notation for 2-(4-chlorophenyl)-2-methyloxolane?
The canonical SMILES for 2-(4-chlorophenyl)-2-methyloxolane is CC1(c2ccc(Cl)cc2)CCCO1.
What is the InChIKey of 2-(4-chlorophenyl)-2-methyloxolane?
The InChIKey is ZDZZEVNVXMEWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO/c1-11(7-2-8-13-11)9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-2-methyloxolane?
2-(4-chlorophenyl)-2-methyloxolane has a molecular weight of 196.68 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-methyloxolane is sourced from PubChem (CID 56963782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).