3-naphthalen-2-yloxetane

C13H12O — CID 130114038

IUPAC3-naphthalen-2-yloxetane
SMILESc1ccc2cc(C3COC3)ccc2c1
InChIInChI=1S/C13H12O/c1-2-4-11-7-12(13-8-14-9-13)6-5-10(11)3-1/h1-7,13H,8-9H2
InChIKeyRBDVBVZWHKTPOI-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.95
Rot. Bonds1

About 3-naphthalen-2-yloxetane

3-naphthalen-2-yloxetane (PubChem CID 130114038) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-naphthalen-2-yloxetane.

Molecular Properties

Compound Name3-naphthalen-2-yloxetane
PubChem CID130114038
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Name3-naphthalen-2-yloxetane
SMILESc1ccc2cc(C3COC3)ccc2c1
InChIInChI=1S/C13H12O/c1-2-4-11-7-12(13-8-14-9-13)6-5-10(11)3-1/h1-7,13H,8-9H2
InChIKeyRBDVBVZWHKTPOI-UHFFFAOYSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-naphthalen-2-yloxetane 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 3-naphthalen-2-yloxetane?
The IUPAC name of 3-naphthalen-2-yloxetane (CID 130114038) is 3-naphthalen-2-yloxetane.
What is the SMILES notation for 3-naphthalen-2-yloxetane?
The canonical SMILES for 3-naphthalen-2-yloxetane is c1ccc2cc(C3COC3)ccc2c1.
What is the InChIKey of 3-naphthalen-2-yloxetane?
The InChIKey is RBDVBVZWHKTPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O/c1-2-4-11-7-12(13-8-14-9-13)6-5-10(11)3-1/h1-7,13H,8-9H2.
What are the key properties of 3-naphthalen-2-yloxetane?
3-naphthalen-2-yloxetane has a molecular weight of 184.24 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yloxetane is sourced from PubChem (CID 130114038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).