3-hydroxy-4-phenylazetidin-2-one

C9H9NO2 — CID 14807868

IUPAC3-hydroxy-4-phenylazetidin-2-one
SMILESO=C1NC(c2ccccc2)C1O
InChIInChI=1S/C9H9NO2/c11-8-7(10-9(8)12)6-4-2-1-3-5-6/h1-5,7-8,11H,(H,10,12)
InChIKeyFBZSDKXFQUKDLD-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.22
Rot. Bonds1

About 3-hydroxy-4-phenylazetidin-2-one

3-hydroxy-4-phenylazetidin-2-one (PubChem CID 14807868) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 3-hydroxy-4-phenylazetidin-2-one.

Molecular Properties

Compound Name3-hydroxy-4-phenylazetidin-2-one
PubChem CID14807868
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name3-hydroxy-4-phenylazetidin-2-one
SMILESO=C1NC(c2ccccc2)C1O
InChIInChI=1S/C9H9NO2/c11-8-7(10-9(8)12)6-4-2-1-3-5-6/h1-5,7-8,11H,(H,10,12)
InChIKeyFBZSDKXFQUKDLD-UHFFFAOYSA-N
XLogP0.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-phenylazetidin-2-one?
The IUPAC name of 3-hydroxy-4-phenylazetidin-2-one (CID 14807868) is 3-hydroxy-4-phenylazetidin-2-one.
What is the SMILES notation for 3-hydroxy-4-phenylazetidin-2-one?
The canonical SMILES for 3-hydroxy-4-phenylazetidin-2-one is O=C1NC(c2ccccc2)C1O.
What is the InChIKey of 3-hydroxy-4-phenylazetidin-2-one?
The InChIKey is FBZSDKXFQUKDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c11-8-7(10-9(8)12)6-4-2-1-3-5-6/h1-5,7-8,11H,(H,10,12).
What are the key properties of 3-hydroxy-4-phenylazetidin-2-one?
3-hydroxy-4-phenylazetidin-2-one has a molecular weight of 163.18 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-phenylazetidin-2-one is sourced from PubChem (CID 14807868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).