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

C24H22FNO3 — CID 69439202

IUPAC1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(3-hydroxy-3-phenylpropyl)azetidin-2-one
SMILESO=C1C(CCC(O)c2ccccc2)C(c2ccc(O)cc2)N1c1ccc(F)cc1
InChIInChI=1S/C24H22FNO3/c25-18-8-10-19(11-9-18)26-23(17-6-12-20(27)13-7-17)21(24(26)29)14-15-22(28)16-4-2-1-3-5-16/h1-13,21-23,27-28H,14-15H2
InChIKeyAZKGJGUGALISLD-UHFFFAOYSA-N
MW391.44 g/mol
LogP4.75
Rot. Bonds6

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

1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(3-hydroxy-3-phenylpropyl)azetidin-2-one (PubChem CID 69439202) has the molecular formula C24H22FNO3 and a molecular weight of 391.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(3-hydroxy-3-phenylpropyl)azetidin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(3-hydroxy-3-phenylpropyl)azetidin-2-one
PubChem CID69439202
Molecular FormulaC24H22FNO3
Molecular Weight391.44 g/mol
Exact Mass391.16
IUPAC Name1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(3-hydroxy-3-phenylpropyl)azetidin-2-one
SMILESO=C1C(CCC(O)c2ccccc2)C(c2ccc(O)cc2)N1c1ccc(F)cc1
InChIInChI=1S/C24H22FNO3/c25-18-8-10-19(11-9-18)26-23(17-6-12-20(27)13-7-17)21(24(26)29)14-15-22(28)16-4-2-1-3-5-16/h1-13,21-23,27-28H,14-15H2
InChIKeyAZKGJGUGALISLD-UHFFFAOYSA-N
XLogP4.75
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(3-hydroxy-3-phenylpropyl)azetidin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(3-hydroxy-3-phenylpropyl)azetidin-2-one (CID 69439202) is 1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(3-hydroxy-3-phenylpropyl)azetidin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(3-hydroxy-3-phenylpropyl)azetidin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(3-hydroxy-3-phenylpropyl)azetidin-2-one is O=C1C(CCC(O)c2ccccc2)C(c2ccc(O)cc2)N1c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(3-hydroxy-3-phenylpropyl)azetidin-2-one?
The InChIKey is AZKGJGUGALISLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO3/c25-18-8-10-19(11-9-18)26-23(17-6-12-20(27)13-7-17)21(24(26)29)14-15-22(28)16-4-2-1-3-5-16/h1-13,21-23,27-28H,14-15H2.
What are the key properties of 1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(3-hydroxy-3-phenylpropyl)azetidin-2-one?
1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(3-hydroxy-3-phenylpropyl)azetidin-2-one has a molecular weight of 391.44 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(3-hydroxy-3-phenylpropyl)azetidin-2-one is sourced from PubChem (CID 69439202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).