3-(4-chlorophenyl)oxetane

C9H9ClO — CID 130113875

IUPAC3-(4-chlorophenyl)oxetane
SMILESClc1ccc(C2COC2)cc1
InChIInChI=1S/C9H9ClO/c10-9-3-1-7(2-4-9)8-5-11-6-8/h1-4,8H,5-6H2
InChIKeyKLNDOFPXDAICOQ-UHFFFAOYSA-N
MW168.62 g/mol
LogP2.45
Rot. Bonds1

About 3-(4-chlorophenyl)oxetane

3-(4-chlorophenyl)oxetane (PubChem CID 130113875) has the molecular formula C9H9ClO and a molecular weight of 168.62 g/mol. Its IUPAC name is 3-(4-chlorophenyl)oxetane.

Molecular Properties

Compound Name3-(4-chlorophenyl)oxetane
PubChem CID130113875
Molecular FormulaC9H9ClO
Molecular Weight168.62 g/mol
Exact Mass168.03
IUPAC Name3-(4-chlorophenyl)oxetane
SMILESClc1ccc(C2COC2)cc1
InChIInChI=1S/C9H9ClO/c10-9-3-1-7(2-4-9)8-5-11-6-8/h1-4,8H,5-6H2
InChIKeyKLNDOFPXDAICOQ-UHFFFAOYSA-N
XLogP2.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.62
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)oxetane?
The IUPAC name of 3-(4-chlorophenyl)oxetane (CID 130113875) is 3-(4-chlorophenyl)oxetane.
What is the SMILES notation for 3-(4-chlorophenyl)oxetane?
The canonical SMILES for 3-(4-chlorophenyl)oxetane is Clc1ccc(C2COC2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)oxetane?
The InChIKey is KLNDOFPXDAICOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO/c10-9-3-1-7(2-4-9)8-5-11-6-8/h1-4,8H,5-6H2.
What are the key properties of 3-(4-chlorophenyl)oxetane?
3-(4-chlorophenyl)oxetane has a molecular weight of 168.62 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)oxetane is sourced from PubChem (CID 130113875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).