(3S)-3-hydroxy-1-methyl-3-[(1R)-2-oxo-1,2-diphenylethyl]indol-2-one

C23H19NO3 — CID 12030607

IUPAC(3S)-3-hydroxy-1-methyl-3-[(1R)-2-oxo-1,2-diphenylethyl]indol-2-one
SMILESCN1C(=O)[C@](O)([C@H](C(=O)c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C23H19NO3/c1-24-19-15-9-8-14-18(19)23(27,22(24)26)20(16-10-4-2-5-11-16)21(25)17-12-6-3-7-13-17/h2-15,20,27H,1H3/t20-,23+/m0/s1
InChIKeyRATGURWBHFUERZ-NZQKXSOJSA-N
MW357.41 g/mol
LogP3.52
Rot. Bonds4

About (3S)-3-hydroxy-1-methyl-3-[(1R)-2-oxo-1,2-diphenylethyl]indol-2-one

(3S)-3-hydroxy-1-methyl-3-[(1R)-2-oxo-1,2-diphenylethyl]indol-2-one (PubChem CID 12030607) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is (3S)-3-hydroxy-1-methyl-3-[(1R)-2-oxo-1,2-diphenylethyl]indol-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-1-methyl-3-[(1R)-2-oxo-1,2-diphenylethyl]indol-2-one
PubChem CID12030607
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name(3S)-3-hydroxy-1-methyl-3-[(1R)-2-oxo-1,2-diphenylethyl]indol-2-one
SMILESCN1C(=O)[C@](O)([C@H](C(=O)c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C23H19NO3/c1-24-19-15-9-8-14-18(19)23(27,22(24)26)20(16-10-4-2-5-11-16)21(25)17-12-6-3-7-13-17/h2-15,20,27H,1H3/t20-,23+/m0/s1
InChIKeyRATGURWBHFUERZ-NZQKXSOJSA-N
XLogP3.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-hydroxy-1-methyl-3-[(1R)-2-oxo-1,2-diphenylethyl]indol-2-one with MolForge

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Related Compounds

ethyl (3R)-1-methyl-2-oxo-3-(2-oxo-1,2-diphenylethyl)indole-3-carboxylate
CID 102434104
(2S,3R)-2-amino-3-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]butanoic acid
CID 57327525
(3S)-5-bromo-3-hydroxy-1-methyl-3-[(2S)-1-oxo-1-phenylpropan-2-yl]indol-2-one
CID 7281206
3-(1,1-difluoro-2-oxo-2-phenylethyl)-3-hydroxy-1-methylindol-2-one
CID 102346465
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
methyl (2R)-3-bromo-2-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]propanoate
CID 102189808
3-hydroxy-1-methyl-3-(1-phenylpropa-1,2-dienyl)indol-2-one
CID 11196681
N-[(1S)-1-[(4S)-4-hydroxy-2-methyl-1,3-dioxoisoquinolin-4-yl]-2-oxo-2-phenylethyl]benzamide
CID 71814647
(3S)-1,3-dimethyl-3-phenylsulfanylindol-2-one
CID 139037177
ethane;1-methyl-3-[1-methyl-3-(methylcarbamoylamino)-2-oxoindol-3-yl]urea
CID 54082692
(3R)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-[(2S)-1-oxo-1-phenylpropan-2-yl]indol-2-one
CID 7281362
(3R)-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
CID 92845660

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-1-methyl-3-[(1R)-2-oxo-1,2-diphenylethyl]indol-2-one?
The IUPAC name of (3S)-3-hydroxy-1-methyl-3-[(1R)-2-oxo-1,2-diphenylethyl]indol-2-one (CID 12030607) is (3S)-3-hydroxy-1-methyl-3-[(1R)-2-oxo-1,2-diphenylethyl]indol-2-one.
What is the SMILES notation for (3S)-3-hydroxy-1-methyl-3-[(1R)-2-oxo-1,2-diphenylethyl]indol-2-one?
The canonical SMILES for (3S)-3-hydroxy-1-methyl-3-[(1R)-2-oxo-1,2-diphenylethyl]indol-2-one is CN1C(=O)[C@](O)([C@H](C(=O)c2ccccc2)c2ccccc2)c2ccccc21.
What is the InChIKey of (3S)-3-hydroxy-1-methyl-3-[(1R)-2-oxo-1,2-diphenylethyl]indol-2-one?
The InChIKey is RATGURWBHFUERZ-NZQKXSOJSA-N. The full InChI is InChI=1S/C23H19NO3/c1-24-19-15-9-8-14-18(19)23(27,22(24)26)20(16-10-4-2-5-11-16)21(25)17-12-6-3-7-13-17/h2-15,20,27H,1H3/t20-,23+/m0/s1.
What are the key properties of (3S)-3-hydroxy-1-methyl-3-[(1R)-2-oxo-1,2-diphenylethyl]indol-2-one?
(3S)-3-hydroxy-1-methyl-3-[(1R)-2-oxo-1,2-diphenylethyl]indol-2-one has a molecular weight of 357.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-1-methyl-3-[(1R)-2-oxo-1,2-diphenylethyl]indol-2-one is sourced from PubChem (CID 12030607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).