(3R,4S)-1-(4-hydroxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]-4-phenylazetidin-2-one

C24H21NO2 — CID 101419597

IUPAC(3R,4S)-1-(4-hydroxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]-4-phenylazetidin-2-one
SMILESCc1ccc(/C=C/[C@H]2C(=O)N(c3ccc(O)cc3)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C24H21NO2/c1-17-7-9-18(10-8-17)11-16-22-23(19-5-3-2-4-6-19)25(24(22)27)20-12-14-21(26)15-13-20/h2-16,22-23,26H,1H3/b16-11+/t22-,23-/m1/s1
InChIKeyJDLPKBAWSNUZTR-JGMYCQGLSA-N
MW355.44 g/mol
LogP5.12
Rot. Bonds4

About (3R,4S)-1-(4-hydroxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]-4-phenylazetidin-2-one

(3R,4S)-1-(4-hydroxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]-4-phenylazetidin-2-one (PubChem CID 101419597) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (3R,4S)-1-(4-hydroxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-(4-hydroxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]-4-phenylazetidin-2-one
PubChem CID101419597
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name(3R,4S)-1-(4-hydroxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]-4-phenylazetidin-2-one
SMILESCc1ccc(/C=C/[C@H]2C(=O)N(c3ccc(O)cc3)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C24H21NO2/c1-17-7-9-18(10-8-17)11-16-22-23(19-5-3-2-4-6-19)25(24(22)27)20-12-14-21(26)15-13-20/h2-16,22-23,26H,1H3/b16-11+/t22-,23-/m1/s1
InChIKeyJDLPKBAWSNUZTR-JGMYCQGLSA-N
XLogP5.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-3-methyl-1-(4-methylphenyl)-4-phenylazetidin-2-one
CID 154718550
(3R,4S)-1-(4-methylphenyl)sulfonyl-4-phenyl-3-[(Z)-2-phenylethenyl]azetidin-2-one
CID 102167394
(3R,4S)-3-[(Z)-2-methoxyethenyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 102251895
(3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 14068192
(3R,4S)-3-hydroxy-1,4-diphenylazetidin-2-one
CID 11424956
(2S)-4-hydroxy-1-(4-methylphenyl)-2-phenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
CID 1046701
(3R,3aS,6aR)-3-(4-hydroxyphenyl)-5-(4-methylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 7465314
(3S,3aR,6aR)-3-(4-hydroxyphenyl)-5-(4-methylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 7006336
3-acetyl-1,4-diphenylazetidin-2-one
CID 12575792
5-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(4-methylphenyl)-1,2,3,3a,4,6a-hexahydropyrrolo[3,4-c]pyrazol-6-one
CID 78213579
2-[(3S,4R)-1-(3-methylphenyl)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]isoindole-1,3-dione
CID 11441181
2-[2-[(2S,3R)-2-(4-methylphenyl)-4-oxo-1-phenylazetidin-3-yl]ethyl]isoindole-1,3-dione
CID 122210764

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(4-hydroxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]-4-phenylazetidin-2-one?
The IUPAC name of (3R,4S)-1-(4-hydroxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]-4-phenylazetidin-2-one (CID 101419597) is (3R,4S)-1-(4-hydroxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]-4-phenylazetidin-2-one.
What is the SMILES notation for (3R,4S)-1-(4-hydroxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]-4-phenylazetidin-2-one?
The canonical SMILES for (3R,4S)-1-(4-hydroxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]-4-phenylazetidin-2-one is Cc1ccc(/C=C/[C@H]2C(=O)N(c3ccc(O)cc3)[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (3R,4S)-1-(4-hydroxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]-4-phenylazetidin-2-one?
The InChIKey is JDLPKBAWSNUZTR-JGMYCQGLSA-N. The full InChI is InChI=1S/C24H21NO2/c1-17-7-9-18(10-8-17)11-16-22-23(19-5-3-2-4-6-19)25(24(22)27)20-12-14-21(26)15-13-20/h2-16,22-23,26H,1H3/b16-11+/t22-,23-/m1/s1.
What are the key properties of (3R,4S)-1-(4-hydroxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]-4-phenylazetidin-2-one?
(3R,4S)-1-(4-hydroxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]-4-phenylazetidin-2-one has a molecular weight of 355.44 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(4-hydroxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]-4-phenylazetidin-2-one is sourced from PubChem (CID 101419597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).