(3R,4S)-4-(4-hydroxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one

C24H23NO2 — CID 58890769

IUPAC(3R,4S)-4-(4-hydroxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
SMILESO=C1[C@H](CCCc2ccccc2)[C@@H](c2ccc(O)cc2)N1c1ccccc1
InChIInChI=1S/C24H23NO2/c26-21-16-14-19(15-17-21)23-22(13-7-10-18-8-3-1-4-9-18)24(27)25(23)20-11-5-2-6-12-20/h1-6,8-9,11-12,14-17,22-23,26H,7,10,13H2/t22-,23-/m1/s1
InChIKeyJGYJSYKKOCYFDN-DHIUTWEWSA-N
MW357.45 g/mol
LogP5.12
Rot. Bonds6

About (3R,4S)-4-(4-hydroxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one

(3R,4S)-4-(4-hydroxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one (PubChem CID 58890769) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is (3R,4S)-4-(4-hydroxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-(4-hydroxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
PubChem CID58890769
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name(3R,4S)-4-(4-hydroxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
SMILESO=C1[C@H](CCCc2ccccc2)[C@@H](c2ccc(O)cc2)N1c1ccccc1
InChIInChI=1S/C24H23NO2/c26-21-16-14-19(15-17-21)23-22(13-7-10-18-8-3-1-4-9-18)24(27)25(23)20-11-5-2-6-12-20/h1-6,8-9,11-12,14-17,22-23,26H,7,10,13H2/t22-,23-/m1/s1
InChIKeyJGYJSYKKOCYFDN-DHIUTWEWSA-N
XLogP5.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-1,4-bis(4-hydroxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
CID 10785566
(3R,4R)-1,4-bis(4-methoxyphenyl)-3-(4-phenylbutyl)azetidin-2-one
CID 102000373
(3S,4R)-4-(4-hydroxyphenyl)-3-[3-(4-iodophenyl)propyl]-1-(4-methoxyphenyl)azetidin-2-one
CID 101159877
N-[4-[(2S,3R)-1-(4-methoxyphenyl)-4-oxo-3-(3-phenylpropyl)azetidin-2-yl]phenyl]acetamide
CID 10717429
(3R,4S)-1-(4-methoxyphenyl)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(3-phenylpropyl)azetidin-2-one
CID 10646916
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
(3R,4S)-1-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-3-(3-phenylpropyl)azetidin-2-one
CID 10671216
(3R,4S)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)-1-(4-prop-2-enoxyphenyl)azetidin-2-one
CID 10670168
(3S,4S)-3-benzyl-1,4-diphenylazetidin-2-one
CID 1236505
(3R,4S)-1-(4-methoxyphenyl)-3-(3-phenylpropyl)-4-(4-piperazin-1-ylphenyl)azetidin-2-one
CID 54087118
(3R,4S)-3-(3-azulen-2-yloxypropyl)-1-(4-fluorophenyl)-4-(4-hydroxyphenyl)azetidin-2-one
CID 23658429
1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(3-hydroxy-3-phenylpropyl)azetidin-2-one
CID 69439202

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(4-hydroxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one?
The IUPAC name of (3R,4S)-4-(4-hydroxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one (CID 58890769) is (3R,4S)-4-(4-hydroxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-4-(4-hydroxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-4-(4-hydroxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one is O=C1[C@H](CCCc2ccccc2)[C@@H](c2ccc(O)cc2)N1c1ccccc1.
What is the InChIKey of (3R,4S)-4-(4-hydroxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one?
The InChIKey is JGYJSYKKOCYFDN-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H23NO2/c26-21-16-14-19(15-17-21)23-22(13-7-10-18-8-3-1-4-9-18)24(27)25(23)20-11-5-2-6-12-20/h1-6,8-9,11-12,14-17,22-23,26H,7,10,13H2/t22-,23-/m1/s1.
What are the key properties of (3R,4S)-4-(4-hydroxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one?
(3R,4S)-4-(4-hydroxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one has a molecular weight of 357.45 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(4-hydroxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one is sourced from PubChem (CID 58890769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).