3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1-(3-phenylpropyl)azetidin-2-one

C24H22FNO2 — CID 69111012

IUPAC3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1-(3-phenylpropyl)azetidin-2-one
SMILESO=C1C(c2ccc(F)cc2)C(c2ccc(O)cc2)N1CCCc1ccccc1
InChIInChI=1S/C24H22FNO2/c25-20-12-8-18(9-13-20)22-23(19-10-14-21(27)15-11-19)26(24(22)28)16-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-15,22-23,27H,4,7,16H2
InChIKeyWGYKAHRHRQODEJ-UHFFFAOYSA-N
MW375.44 g/mol
LogP4.83
Rot. Bonds6

About 3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1-(3-phenylpropyl)azetidin-2-one

3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1-(3-phenylpropyl)azetidin-2-one (PubChem CID 69111012) has the molecular formula C24H22FNO2 and a molecular weight of 375.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1-(3-phenylpropyl)azetidin-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1-(3-phenylpropyl)azetidin-2-one
PubChem CID69111012
Molecular FormulaC24H22FNO2
Molecular Weight375.44 g/mol
Exact Mass375.16
IUPAC Name3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1-(3-phenylpropyl)azetidin-2-one
SMILESO=C1C(c2ccc(F)cc2)C(c2ccc(O)cc2)N1CCCc1ccccc1
InChIInChI=1S/C24H22FNO2/c25-20-12-8-18(9-13-20)22-23(19-10-14-21(27)15-11-19)26(24(22)28)16-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-15,22-23,27H,4,7,16H2
InChIKeyWGYKAHRHRQODEJ-UHFFFAOYSA-N
XLogP4.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-4-(4-hydroxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
CID 58890769
(3R,4S)-1,4-bis(4-hydroxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
CID 10785566
3-(4-fluorophenyl)-1-(3-hydroxy-3,3-diphenylpropyl)-4-(4-hydroxyphenyl)pyrrolidine-2,5-dione
CID 141471069
1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(3-hydroxy-3-phenylpropyl)azetidin-2-one
CID 69439202
1-benzyl-4-(4-bromophenyl)-3-phenylazetidin-2-one
CID 101419335
1-[(4-fluorophenyl)methyl]-4-hydroxy-2-(4-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108583313
2-[2-benzylsulfonyl-1-[6-(4-fluorophenyl)hexyl]-4-oxoazetidin-3-yl]acetamide
CID 54453930
3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)propyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one
CID 69246279
3-[3-(4-fluorophenyl)propyl]-1-(4-hydroxyphenyl)-4-[4-[[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methyl]phenyl]azetidin-2-one
CID 23572729
2-(4-fluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 43859993
(4R,5S)-N-benzyl-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 69188987
(3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(2-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one
CID 125281874

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1-(3-phenylpropyl)azetidin-2-one?
The IUPAC name of 3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1-(3-phenylpropyl)azetidin-2-one (CID 69111012) is 3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1-(3-phenylpropyl)azetidin-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1-(3-phenylpropyl)azetidin-2-one?
The canonical SMILES for 3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1-(3-phenylpropyl)azetidin-2-one is O=C1C(c2ccc(F)cc2)C(c2ccc(O)cc2)N1CCCc1ccccc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1-(3-phenylpropyl)azetidin-2-one?
The InChIKey is WGYKAHRHRQODEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO2/c25-20-12-8-18(9-13-20)22-23(19-10-14-21(27)15-11-19)26(24(22)28)16-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-15,22-23,27H,4,7,16H2.
What are the key properties of 3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1-(3-phenylpropyl)azetidin-2-one?
3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1-(3-phenylpropyl)azetidin-2-one has a molecular weight of 375.44 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1-(3-phenylpropyl)azetidin-2-one is sourced from PubChem (CID 69111012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).