1-(2-chlorophenyl)azetidin-3-ol

C9H10ClNO — CID 170732975

IUPAC1-(2-chlorophenyl)azetidin-3-ol
SMILESOC1CN(c2ccccc2Cl)C1
InChIInChI=1S/C9H10ClNO/c10-8-3-1-2-4-9(8)11-5-7(12)6-11/h1-4,7,12H,5-6H2
InChIKeySARPJXWSCMNFDO-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.52
Rot. Bonds1

About 1-(2-chlorophenyl)azetidin-3-ol

1-(2-chlorophenyl)azetidin-3-ol (PubChem CID 170732975) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 1-(2-chlorophenyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)azetidin-3-ol
PubChem CID170732975
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name1-(2-chlorophenyl)azetidin-3-ol
SMILESOC1CN(c2ccccc2Cl)C1
InChIInChI=1S/C9H10ClNO/c10-8-3-1-2-4-9(8)11-5-7(12)6-11/h1-4,7,12H,5-6H2
InChIKeySARPJXWSCMNFDO-UHFFFAOYSA-N
XLogP1.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)azetidin-3-ol?
The IUPAC name of 1-(2-chlorophenyl)azetidin-3-ol (CID 170732975) is 1-(2-chlorophenyl)azetidin-3-ol.
What is the SMILES notation for 1-(2-chlorophenyl)azetidin-3-ol?
The canonical SMILES for 1-(2-chlorophenyl)azetidin-3-ol is OC1CN(c2ccccc2Cl)C1.
What is the InChIKey of 1-(2-chlorophenyl)azetidin-3-ol?
The InChIKey is SARPJXWSCMNFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c10-8-3-1-2-4-9(8)11-5-7(12)6-11/h1-4,7,12H,5-6H2.
What are the key properties of 1-(2-chlorophenyl)azetidin-3-ol?
1-(2-chlorophenyl)azetidin-3-ol has a molecular weight of 183.64 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)azetidin-3-ol is sourced from PubChem (CID 170732975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).