1-(3-bromophenyl)azetidin-3-ol

C9H10BrNO — CID 83823674

IUPAC1-(3-bromophenyl)azetidin-3-ol
SMILESOC1CN(c2cccc(Br)c2)C1
InChIInChI=1S/C9H10BrNO/c10-7-2-1-3-8(4-7)11-5-9(12)6-11/h1-4,9,12H,5-6H2
InChIKeyPLEZLMVSHBXGFT-UHFFFAOYSA-N
MW228.09 g/mol
LogP1.63
Rot. Bonds1

About 1-(3-bromophenyl)azetidin-3-ol

1-(3-bromophenyl)azetidin-3-ol (PubChem CID 83823674) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 1-(3-bromophenyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)azetidin-3-ol
PubChem CID83823674
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name1-(3-bromophenyl)azetidin-3-ol
SMILESOC1CN(c2cccc(Br)c2)C1
InChIInChI=1S/C9H10BrNO/c10-7-2-1-3-8(4-7)11-5-9(12)6-11/h1-4,9,12H,5-6H2
InChIKeyPLEZLMVSHBXGFT-UHFFFAOYSA-N
XLogP1.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)azetidin-3-ol?
The IUPAC name of 1-(3-bromophenyl)azetidin-3-ol (CID 83823674) is 1-(3-bromophenyl)azetidin-3-ol.
What is the SMILES notation for 1-(3-bromophenyl)azetidin-3-ol?
The canonical SMILES for 1-(3-bromophenyl)azetidin-3-ol is OC1CN(c2cccc(Br)c2)C1.
What is the InChIKey of 1-(3-bromophenyl)azetidin-3-ol?
The InChIKey is PLEZLMVSHBXGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c10-7-2-1-3-8(4-7)11-5-9(12)6-11/h1-4,9,12H,5-6H2.
What are the key properties of 1-(3-bromophenyl)azetidin-3-ol?
1-(3-bromophenyl)azetidin-3-ol has a molecular weight of 228.09 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)azetidin-3-ol is sourced from PubChem (CID 83823674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).