1-phenyl-3-oxabicyclo[3.1.0]hexan-2-one

C11H10O2 — CID 11745119

IUPAC1-phenyl-3-oxabicyclo[3.1.0]hexan-2-one
SMILESO=C1OCC2CC12c1ccccc1
InChIInChI=1S/C11H10O2/c12-10-11(6-9(11)7-13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyWZGFIZUMKYUMRN-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.50
Rot. Bonds1

About 1-phenyl-3-oxabicyclo[3.1.0]hexan-2-one

1-phenyl-3-oxabicyclo[3.1.0]hexan-2-one (PubChem CID 11745119) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 1-phenyl-3-oxabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name1-phenyl-3-oxabicyclo[3.1.0]hexan-2-one
PubChem CID11745119
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name1-phenyl-3-oxabicyclo[3.1.0]hexan-2-one
SMILESO=C1OCC2CC12c1ccccc1
InChIInChI=1S/C11H10O2/c12-10-11(6-9(11)7-13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyWZGFIZUMKYUMRN-UHFFFAOYSA-N
XLogP1.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-phenyl-3-oxabicyclo[3.1.0]hexan-2-one 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 1-phenyl-3-oxabicyclo[3.1.0]hexan-2-one?
The IUPAC name of 1-phenyl-3-oxabicyclo[3.1.0]hexan-2-one (CID 11745119) is 1-phenyl-3-oxabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 1-phenyl-3-oxabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 1-phenyl-3-oxabicyclo[3.1.0]hexan-2-one is O=C1OCC2CC12c1ccccc1.
What is the InChIKey of 1-phenyl-3-oxabicyclo[3.1.0]hexan-2-one?
The InChIKey is WZGFIZUMKYUMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c12-10-11(6-9(11)7-13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 1-phenyl-3-oxabicyclo[3.1.0]hexan-2-one?
1-phenyl-3-oxabicyclo[3.1.0]hexan-2-one has a molecular weight of 174.20 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-oxabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 11745119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).