2-(4-ethenylphenyl)oxetane

C11H12O — CID 77480755

IUPAC2-(4-ethenylphenyl)oxetane
SMILESC=Cc1ccc(C2CCO2)cc1
InChIInChI=1S/C11H12O/c1-2-9-3-5-10(6-4-9)11-7-8-12-11/h2-6,11H,1,7-8H2
InChIKeyKADHVTHHOVDLRM-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.79
Rot. Bonds2

About 2-(4-ethenylphenyl)oxetane

2-(4-ethenylphenyl)oxetane (PubChem CID 77480755) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-(4-ethenylphenyl)oxetane.

Molecular Properties

Compound Name2-(4-ethenylphenyl)oxetane
PubChem CID77480755
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name2-(4-ethenylphenyl)oxetane
SMILESC=Cc1ccc(C2CCO2)cc1
InChIInChI=1S/C11H12O/c1-2-9-3-5-10(6-4-9)11-7-8-12-11/h2-6,11H,1,7-8H2
InChIKeyKADHVTHHOVDLRM-UHFFFAOYSA-N
XLogP2.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenylphenyl)oxetane?
The IUPAC name of 2-(4-ethenylphenyl)oxetane (CID 77480755) is 2-(4-ethenylphenyl)oxetane.
What is the SMILES notation for 2-(4-ethenylphenyl)oxetane?
The canonical SMILES for 2-(4-ethenylphenyl)oxetane is C=Cc1ccc(C2CCO2)cc1.
What is the InChIKey of 2-(4-ethenylphenyl)oxetane?
The InChIKey is KADHVTHHOVDLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-2-9-3-5-10(6-4-9)11-7-8-12-11/h2-6,11H,1,7-8H2.
What are the key properties of 2-(4-ethenylphenyl)oxetane?
2-(4-ethenylphenyl)oxetane has a molecular weight of 160.22 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylphenyl)oxetane is sourced from PubChem (CID 77480755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).