2-(4-chlorophenyl)-4-methylideneoxolane

C11H11ClO — CID 11074305

IUPAC2-(4-chlorophenyl)-4-methylideneoxolane
SMILESC=C1COC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C11H11ClO/c1-8-6-11(13-7-8)9-2-4-10(12)5-3-9/h2-5,11H,1,6-7H2
InChIKeyVNJORNCQDIJTIL-UHFFFAOYSA-N
MW194.66 g/mol
LogP3.36
Rot. Bonds1

About 2-(4-chlorophenyl)-4-methylideneoxolane

2-(4-chlorophenyl)-4-methylideneoxolane (PubChem CID 11074305) has the molecular formula C11H11ClO and a molecular weight of 194.66 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-methylideneoxolane.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-methylideneoxolane
PubChem CID11074305
Molecular FormulaC11H11ClO
Molecular Weight194.66 g/mol
Exact Mass194.05
IUPAC Name2-(4-chlorophenyl)-4-methylideneoxolane
SMILESC=C1COC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C11H11ClO/c1-8-6-11(13-7-8)9-2-4-10(12)5-3-9/h2-5,11H,1,6-7H2
InChIKeyVNJORNCQDIJTIL-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-methylideneoxolane?
The IUPAC name of 2-(4-chlorophenyl)-4-methylideneoxolane (CID 11074305) is 2-(4-chlorophenyl)-4-methylideneoxolane.
What is the SMILES notation for 2-(4-chlorophenyl)-4-methylideneoxolane?
The canonical SMILES for 2-(4-chlorophenyl)-4-methylideneoxolane is C=C1COC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-4-methylideneoxolane?
The InChIKey is VNJORNCQDIJTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO/c1-8-6-11(13-7-8)9-2-4-10(12)5-3-9/h2-5,11H,1,6-7H2.
What are the key properties of 2-(4-chlorophenyl)-4-methylideneoxolane?
2-(4-chlorophenyl)-4-methylideneoxolane has a molecular weight of 194.66 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-methylideneoxolane is sourced from PubChem (CID 11074305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).