2-naphthalen-1-yloxetane

C13H12O — CID 18412934

IUPAC2-naphthalen-1-yloxetane
SMILESc1ccc2c(C3CCO3)cccc2c1
InChIInChI=1S/C13H12O/c1-2-6-11-10(4-1)5-3-7-12(11)13-8-9-14-13/h1-7,13H,8-9H2
InChIKeyXBMPCXFKGZYROD-UHFFFAOYSA-N
MW184.24 g/mol
LogP3.30
Rot. Bonds1

About 2-naphthalen-1-yloxetane

2-naphthalen-1-yloxetane (PubChem CID 18412934) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-naphthalen-1-yloxetane.

Molecular Properties

Compound Name2-naphthalen-1-yloxetane
PubChem CID18412934
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Name2-naphthalen-1-yloxetane
SMILESc1ccc2c(C3CCO3)cccc2c1
InChIInChI=1S/C13H12O/c1-2-6-11-10(4-1)5-3-7-12(11)13-8-9-14-13/h1-7,13H,8-9H2
InChIKeyXBMPCXFKGZYROD-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxetane?
The IUPAC name of 2-naphthalen-1-yloxetane (CID 18412934) is 2-naphthalen-1-yloxetane.
What is the SMILES notation for 2-naphthalen-1-yloxetane?
The canonical SMILES for 2-naphthalen-1-yloxetane is c1ccc2c(C3CCO3)cccc2c1.
What is the InChIKey of 2-naphthalen-1-yloxetane?
The InChIKey is XBMPCXFKGZYROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O/c1-2-6-11-10(4-1)5-3-7-12(11)13-8-9-14-13/h1-7,13H,8-9H2.
What are the key properties of 2-naphthalen-1-yloxetane?
2-naphthalen-1-yloxetane has a molecular weight of 184.24 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yloxetane is sourced from PubChem (CID 18412934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).