2-phenylmethoxycyclobutan-1-one

C11H12O2 — CID 11789736

IUPAC2-phenylmethoxycyclobutan-1-one
SMILESO=C1CCC1OCc1ccccc1
InChIInChI=1S/C11H12O2/c12-10-6-7-11(10)13-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2
InChIKeyHRPGUVFWKDCSSX-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.93
Rot. Bonds3

About 2-phenylmethoxycyclobutan-1-one

2-phenylmethoxycyclobutan-1-one (PubChem CID 11789736) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-phenylmethoxycyclobutan-1-one.

Molecular Properties

Compound Name2-phenylmethoxycyclobutan-1-one
PubChem CID11789736
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name2-phenylmethoxycyclobutan-1-one
SMILESO=C1CCC1OCc1ccccc1
InChIInChI=1S/C11H12O2/c12-10-6-7-11(10)13-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2
InChIKeyHRPGUVFWKDCSSX-UHFFFAOYSA-N
XLogP1.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-phenylmethoxycyclobutan-1-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 2-phenylmethoxycyclobutan-1-one?
The IUPAC name of 2-phenylmethoxycyclobutan-1-one (CID 11789736) is 2-phenylmethoxycyclobutan-1-one.
What is the SMILES notation for 2-phenylmethoxycyclobutan-1-one?
The canonical SMILES for 2-phenylmethoxycyclobutan-1-one is O=C1CCC1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxycyclobutan-1-one?
The InChIKey is HRPGUVFWKDCSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c12-10-6-7-11(10)13-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2.
What are the key properties of 2-phenylmethoxycyclobutan-1-one?
2-phenylmethoxycyclobutan-1-one has a molecular weight of 176.22 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxycyclobutan-1-one is sourced from PubChem (CID 11789736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).