3-(4-bromophenyl)azetidin-3-ol;hydrochloride

C9H11BrClNO — CID 122164542

IUPAC3-(4-bromophenyl)azetidin-3-ol;hydrochloride
SMILESCl.OC1(c2ccc(Br)cc2)CNC1
InChIInChI=1S/C9H10BrNO.ClH/c10-8-3-1-7(2-4-8)9(12)5-11-6-9;/h1-4,11-12H,5-6H2;1H
InChIKeyJVWQJOYGDSQFNR-UHFFFAOYSA-N
MW264.55 g/mol
LogP1.66
Rot. Bonds1

About 3-(4-bromophenyl)azetidin-3-ol;hydrochloride

3-(4-bromophenyl)azetidin-3-ol;hydrochloride (PubChem CID 122164542) has the molecular formula C9H11BrClNO and a molecular weight of 264.55 g/mol. Its IUPAC name is 3-(4-bromophenyl)azetidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(4-bromophenyl)azetidin-3-ol;hydrochloride
PubChem CID122164542
Molecular FormulaC9H11BrClNO
Molecular Weight264.55 g/mol
Exact Mass262.97
IUPAC Name3-(4-bromophenyl)azetidin-3-ol;hydrochloride
SMILESCl.OC1(c2ccc(Br)cc2)CNC1
InChIInChI=1S/C9H10BrNO.ClH/c10-8-3-1-7(2-4-8)9(12)5-11-6-9;/h1-4,11-12H,5-6H2;1H
InChIKeyJVWQJOYGDSQFNR-UHFFFAOYSA-N
XLogP1.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.55
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(4-bromophenyl)azetidin-3-ol;hydrochloride 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-(4-bromophenyl)azetidin-3-ol;hydrochloride?
The IUPAC name of 3-(4-bromophenyl)azetidin-3-ol;hydrochloride (CID 122164542) is 3-(4-bromophenyl)azetidin-3-ol;hydrochloride.
What is the SMILES notation for 3-(4-bromophenyl)azetidin-3-ol;hydrochloride?
The canonical SMILES for 3-(4-bromophenyl)azetidin-3-ol;hydrochloride is Cl.OC1(c2ccc(Br)cc2)CNC1.
What is the InChIKey of 3-(4-bromophenyl)azetidin-3-ol;hydrochloride?
The InChIKey is JVWQJOYGDSQFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO.ClH/c10-8-3-1-7(2-4-8)9(12)5-11-6-9;/h1-4,11-12H,5-6H2;1H.
What are the key properties of 3-(4-bromophenyl)azetidin-3-ol;hydrochloride?
3-(4-bromophenyl)azetidin-3-ol;hydrochloride has a molecular weight of 264.55 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)azetidin-3-ol;hydrochloride is sourced from PubChem (CID 122164542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).