3-phenyloxetane

C9H10O — CID 11789254

IUPAC3-phenyloxetane
SMILESc1ccc(C2COC2)cc1
InChIInChI=1S/C9H10O/c1-2-4-8(5-3-1)9-6-10-7-9/h1-5,9H,6-7H2
InChIKeyROAGGVYFIYBKOY-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.80
Rot. Bonds1

About 3-phenyloxetane

3-phenyloxetane (PubChem CID 11789254) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is 3-phenyloxetane.

Molecular Properties

Compound Name3-phenyloxetane
PubChem CID11789254
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name3-phenyloxetane
SMILESc1ccc(C2COC2)cc1
InChIInChI=1S/C9H10O/c1-2-4-8(5-3-1)9-6-10-7-9/h1-5,9H,6-7H2
InChIKeyROAGGVYFIYBKOY-UHFFFAOYSA-N
XLogP1.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenyloxetane?
The IUPAC name of 3-phenyloxetane (CID 11789254) is 3-phenyloxetane.
What is the SMILES notation for 3-phenyloxetane?
The canonical SMILES for 3-phenyloxetane is c1ccc(C2COC2)cc1.
What is the InChIKey of 3-phenyloxetane?
The InChIKey is ROAGGVYFIYBKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c1-2-4-8(5-3-1)9-6-10-7-9/h1-5,9H,6-7H2.
What are the key properties of 3-phenyloxetane?
3-phenyloxetane has a molecular weight of 134.18 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyloxetane is sourced from PubChem (CID 11789254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).