2-(2-phenylethyl)oxetane

C11H14O — CID 13354102

IUPAC2-(2-phenylethyl)oxetane
SMILESc1ccc(CCC2CCO2)cc1
InChIInChI=1S/C11H14O/c1-2-4-10(5-3-1)6-7-11-8-9-12-11/h1-5,11H,6-9H2
InChIKeyGZQGNHSXRHZFTR-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.41
Rot. Bonds3

About 2-(2-phenylethyl)oxetane

2-(2-phenylethyl)oxetane (PubChem CID 13354102) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 2-(2-phenylethyl)oxetane.

Molecular Properties

Compound Name2-(2-phenylethyl)oxetane
PubChem CID13354102
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name2-(2-phenylethyl)oxetane
SMILESc1ccc(CCC2CCO2)cc1
InChIInChI=1S/C11H14O/c1-2-4-10(5-3-1)6-7-11-8-9-12-11/h1-5,11H,6-9H2
InChIKeyGZQGNHSXRHZFTR-UHFFFAOYSA-N
XLogP2.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)oxetane?
The IUPAC name of 2-(2-phenylethyl)oxetane (CID 13354102) is 2-(2-phenylethyl)oxetane.
What is the SMILES notation for 2-(2-phenylethyl)oxetane?
The canonical SMILES for 2-(2-phenylethyl)oxetane is c1ccc(CCC2CCO2)cc1.
What is the InChIKey of 2-(2-phenylethyl)oxetane?
The InChIKey is GZQGNHSXRHZFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-2-4-10(5-3-1)6-7-11-8-9-12-11/h1-5,11H,6-9H2.
What are the key properties of 2-(2-phenylethyl)oxetane?
2-(2-phenylethyl)oxetane has a molecular weight of 162.23 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)oxetane is sourced from PubChem (CID 13354102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).