1-(3,4-dichlorophenyl)azetidin-3-ol

C9H9Cl2NO — CID 155174092

IUPAC1-(3,4-dichlorophenyl)azetidin-3-ol
SMILESOC1CN(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C9H9Cl2NO/c10-8-2-1-6(3-9(8)11)12-4-7(13)5-12/h1-3,7,13H,4-5H2
InChIKeyBBRDEAQYGTWICT-UHFFFAOYSA-N
MW218.08 g/mol
LogP2.17
Rot. Bonds1

About 1-(3,4-dichlorophenyl)azetidin-3-ol

1-(3,4-dichlorophenyl)azetidin-3-ol (PubChem CID 155174092) has the molecular formula C9H9Cl2NO and a molecular weight of 218.08 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)azetidin-3-ol
PubChem CID155174092
Molecular FormulaC9H9Cl2NO
Molecular Weight218.08 g/mol
Exact Mass217.01
IUPAC Name1-(3,4-dichlorophenyl)azetidin-3-ol
SMILESOC1CN(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C9H9Cl2NO/c10-8-2-1-6(3-9(8)11)12-4-7(13)5-12/h1-3,7,13H,4-5H2
InChIKeyBBRDEAQYGTWICT-UHFFFAOYSA-N
XLogP2.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.08
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(2,3-Dichloroanilino)ethan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)azetidin-3-ol?
The IUPAC name of 1-(3,4-dichlorophenyl)azetidin-3-ol (CID 155174092) is 1-(3,4-dichlorophenyl)azetidin-3-ol.
What is the SMILES notation for 1-(3,4-dichlorophenyl)azetidin-3-ol?
The canonical SMILES for 1-(3,4-dichlorophenyl)azetidin-3-ol is OC1CN(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-(3,4-dichlorophenyl)azetidin-3-ol?
The InChIKey is BBRDEAQYGTWICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO/c10-8-2-1-6(3-9(8)11)12-4-7(13)5-12/h1-3,7,13H,4-5H2.
What are the key properties of 1-(3,4-dichlorophenyl)azetidin-3-ol?
1-(3,4-dichlorophenyl)azetidin-3-ol has a molecular weight of 218.08 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)azetidin-3-ol is sourced from PubChem (CID 155174092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).