3-chloro-4-(4-hydroxyphenyl)azetidin-2-one

C9H8ClNO2 — CID 72988124

IUPAC3-chloro-4-(4-hydroxyphenyl)azetidin-2-one
SMILESO=C1NC(c2ccc(O)cc2)C1Cl
InChIInChI=1S/C9H8ClNO2/c10-7-8(11-9(7)13)5-1-3-6(12)4-2-5/h1-4,7-8,12H,(H,11,13)
InChIKeyDKFXADQXEUHXBH-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.17
Rot. Bonds1

About 3-chloro-4-(4-hydroxyphenyl)azetidin-2-one

3-chloro-4-(4-hydroxyphenyl)azetidin-2-one (PubChem CID 72988124) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 3-chloro-4-(4-hydroxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name3-chloro-4-(4-hydroxyphenyl)azetidin-2-one
PubChem CID72988124
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name3-chloro-4-(4-hydroxyphenyl)azetidin-2-one
SMILESO=C1NC(c2ccc(O)cc2)C1Cl
InChIInChI=1S/C9H8ClNO2/c10-7-8(11-9(7)13)5-1-3-6(12)4-2-5/h1-4,7-8,12H,(H,11,13)
InChIKeyDKFXADQXEUHXBH-UHFFFAOYSA-N
XLogP1.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(4-hydroxyphenyl)-4-methylazetidin-2-one
CID 141021087
5-(4-hydroxyphenyl)imidazolidine-2,4-dione
CID 159859205
(3S)-3-(4-hydroxyphenyl)piperazine-2,5-dione
CID 129497891
4-(4-hydroxyphenyl)pyrrolidine-2,3,5-trione
CID 91446526
3-(4-hydroxyphenyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 162864462
(4R)-4-(4-hydroxyphenyl)imidazolidin-2-one
CID 130739851
(3R,6R)-3,6-bis[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 59269972
2-(4-hydroxyphenyl)cyclopentane-1,3-dione
CID 163536929
5-(4-hydroxyphenyl)-1-methylimidazolidine-2,4-dione
CID 82112832
5-(4-hydroxyphenyl)-1-oxidotriazolidin-4-one
CID 88735503
6-(4-hydroxyphenyl)piperidine-2,4-dione
CID 83819813
2-(4-hydroxyphenyl)-1-methylimidazolidin-4-one
CID 174408760

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-hydroxyphenyl)azetidin-2-one?
The IUPAC name of 3-chloro-4-(4-hydroxyphenyl)azetidin-2-one (CID 72988124) is 3-chloro-4-(4-hydroxyphenyl)azetidin-2-one.
What is the SMILES notation for 3-chloro-4-(4-hydroxyphenyl)azetidin-2-one?
The canonical SMILES for 3-chloro-4-(4-hydroxyphenyl)azetidin-2-one is O=C1NC(c2ccc(O)cc2)C1Cl.
What is the InChIKey of 3-chloro-4-(4-hydroxyphenyl)azetidin-2-one?
The InChIKey is DKFXADQXEUHXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c10-7-8(11-9(7)13)5-1-3-6(12)4-2-5/h1-4,7-8,12H,(H,11,13).
What are the key properties of 3-chloro-4-(4-hydroxyphenyl)azetidin-2-one?
3-chloro-4-(4-hydroxyphenyl)azetidin-2-one has a molecular weight of 197.62 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-hydroxyphenyl)azetidin-2-one is sourced from PubChem (CID 72988124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).