1-benzhydryl-4-(2-hydroxyphenyl)-3,3-diphenylazetidin-2-one

C34H27NO2 — CID 24777885

IUPAC1-benzhydryl-4-(2-hydroxyphenyl)-3,3-diphenylazetidin-2-one
SMILESO=C1N(C(c2ccccc2)c2ccccc2)C(c2ccccc2O)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H27NO2/c36-30-24-14-13-23-29(30)32-34(27-19-9-3-10-20-27,28-21-11-4-12-22-28)33(37)35(32)31(25-15-5-1-6-16-25)26-17-7-2-8-18-26/h1-24,31-32,36H
InChIKeyLYVGQIPEUMLINE-UHFFFAOYSA-N
MW481.60 g/mol
LogP7.05
Rot. Bonds6

About 1-benzhydryl-4-(2-hydroxyphenyl)-3,3-diphenylazetidin-2-one

1-benzhydryl-4-(2-hydroxyphenyl)-3,3-diphenylazetidin-2-one (PubChem CID 24777885) has the molecular formula C34H27NO2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 1-benzhydryl-4-(2-hydroxyphenyl)-3,3-diphenylazetidin-2-one.

Molecular Properties

Compound Name1-benzhydryl-4-(2-hydroxyphenyl)-3,3-diphenylazetidin-2-one
PubChem CID24777885
Molecular FormulaC34H27NO2
Molecular Weight481.60 g/mol
Exact Mass481.20
IUPAC Name1-benzhydryl-4-(2-hydroxyphenyl)-3,3-diphenylazetidin-2-one
SMILESO=C1N(C(c2ccccc2)c2ccccc2)C(c2ccccc2O)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H27NO2/c36-30-24-14-13-23-29(30)32-34(27-19-9-3-10-20-27,28-21-11-4-12-22-28)33(37)35(32)31(25-15-5-1-6-16-25)26-17-7-2-8-18-26/h1-24,31-32,36H
InChIKeyLYVGQIPEUMLINE-UHFFFAOYSA-N
XLogP7.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-(2-hydroxyphenyl)-3,3-dimethyl-1-phenylazetidin-2-one
CID 714178
(3S,4R)-1-benzhydryl-3-methyl-4-phenylazetidin-2-one
CID 13045168
1-(4-methylphenyl)-3,3,4-triphenylazetidin-2-one
CID 156769473
methyl 3-benzhydryl-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
CID 12010021
ethene;2-hydroxycyclohepta-2,4,6-trien-1-one
CID 88801051
methyl 2-(3-hydroxy-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetate
CID 20522495
2-benzhydryl-N-[(2,4-difluorophenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 68771404
1-hydroxy-1-phenyl-5,9b-dihydro-2H-pyrrolo[2,1-a]isoindol-3-one
CID 576510
1-(4-tert-butylphenyl)-3,3,4-triphenylazetidin-2-one
CID 156769472
1'-benzhydryl-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one
CID 4026307
(2S)-1'-benzhydryl-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one
CID 41329471
2-(dioxiran-3-yl)phenol
CID 87283547

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-(2-hydroxyphenyl)-3,3-diphenylazetidin-2-one?
The IUPAC name of 1-benzhydryl-4-(2-hydroxyphenyl)-3,3-diphenylazetidin-2-one (CID 24777885) is 1-benzhydryl-4-(2-hydroxyphenyl)-3,3-diphenylazetidin-2-one.
What is the SMILES notation for 1-benzhydryl-4-(2-hydroxyphenyl)-3,3-diphenylazetidin-2-one?
The canonical SMILES for 1-benzhydryl-4-(2-hydroxyphenyl)-3,3-diphenylazetidin-2-one is O=C1N(C(c2ccccc2)c2ccccc2)C(c2ccccc2O)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-4-(2-hydroxyphenyl)-3,3-diphenylazetidin-2-one?
The InChIKey is LYVGQIPEUMLINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27NO2/c36-30-24-14-13-23-29(30)32-34(27-19-9-3-10-20-27,28-21-11-4-12-22-28)33(37)35(32)31(25-15-5-1-6-16-25)26-17-7-2-8-18-26/h1-24,31-32,36H.
What are the key properties of 1-benzhydryl-4-(2-hydroxyphenyl)-3,3-diphenylazetidin-2-one?
1-benzhydryl-4-(2-hydroxyphenyl)-3,3-diphenylazetidin-2-one has a molecular weight of 481.60 g/mol, XLogP of 7.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-(2-hydroxyphenyl)-3,3-diphenylazetidin-2-one is sourced from PubChem (CID 24777885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).