1-benzyl-3-hydroxy-5-methyl-3-[(E)-1-phenylprop-1-enyl]indol-2-one

C25H23NO2 — CID 132571208

IUPAC1-benzyl-3-hydroxy-5-methyl-3-[(E)-1-phenylprop-1-enyl]indol-2-one
SMILESC/C=C(\c1ccccc1)C1(O)C(=O)N(Cc2ccccc2)c2ccc(C)cc21
InChIInChI=1S/C25H23NO2/c1-3-21(20-12-8-5-9-13-20)25(28)22-16-18(2)14-15-23(22)26(24(25)27)17-19-10-6-4-7-11-19/h3-16,28H,17H2,1-2H3/b21-3+
InChIKeyCLUXTEBPCIYTPE-WSVFEZOKSA-N
MW369.46 g/mol
LogP4.83
Rot. Bonds4

About 1-benzyl-3-hydroxy-5-methyl-3-[(E)-1-phenylprop-1-enyl]indol-2-one

1-benzyl-3-hydroxy-5-methyl-3-[(E)-1-phenylprop-1-enyl]indol-2-one (PubChem CID 132571208) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 1-benzyl-3-hydroxy-5-methyl-3-[(E)-1-phenylprop-1-enyl]indol-2-one.

Molecular Properties

Compound Name1-benzyl-3-hydroxy-5-methyl-3-[(E)-1-phenylprop-1-enyl]indol-2-one
PubChem CID132571208
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name1-benzyl-3-hydroxy-5-methyl-3-[(E)-1-phenylprop-1-enyl]indol-2-one
SMILESC/C=C(\c1ccccc1)C1(O)C(=O)N(Cc2ccccc2)c2ccc(C)cc21
InChIInChI=1S/C25H23NO2/c1-3-21(20-12-8-5-9-13-20)25(28)22-16-18(2)14-15-23(22)26(24(25)27)17-19-10-6-4-7-11-19/h3-16,28H,17H2,1-2H3/b21-3+
InChIKeyCLUXTEBPCIYTPE-WSVFEZOKSA-N
XLogP4.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-hydroxy-5-methyl-3-(2-methylprop-2-enyl)indol-2-one
CID 162398531
CID 132544016
CID 132544016
2-(1-benzyl-3,5-dimethyl-2-oxoindol-3-yl)acetonitrile
CID 102395058
1-benzyl-3-hydroxy-5-methyl-3-(2H-tetrazol-5-ylmethyl)indol-2-one
CID 127035746
(2R)-1'-benzyl-5'-methylspiro[3H-pyran-2,3'-indole]-2',6-dione
CID 122213350
(3R)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-[(2S)-1-oxo-1-phenylpropan-2-yl]indol-2-one
CID 7281362
(3R)-3-amino-1-benzyl-5-methyl-3-(2-phenylethynyl)indol-2-one
CID 57379529
3-benzyl-3-hydroxy-1,5-dimethylindol-2-one
CID 10912492
(2R)-1'-benzyl-5,5,5'-trimethyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180538
3-hydroxy-1-[(3-methylphenyl)methyl]-3-phenacylindol-2-one
CID 3598775
(3S)-1-benzyl-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 7357342
(3R)-1-benzyl-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 7357344

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-hydroxy-5-methyl-3-[(E)-1-phenylprop-1-enyl]indol-2-one?
The IUPAC name of 1-benzyl-3-hydroxy-5-methyl-3-[(E)-1-phenylprop-1-enyl]indol-2-one (CID 132571208) is 1-benzyl-3-hydroxy-5-methyl-3-[(E)-1-phenylprop-1-enyl]indol-2-one.
What is the SMILES notation for 1-benzyl-3-hydroxy-5-methyl-3-[(E)-1-phenylprop-1-enyl]indol-2-one?
The canonical SMILES for 1-benzyl-3-hydroxy-5-methyl-3-[(E)-1-phenylprop-1-enyl]indol-2-one is C/C=C(\c1ccccc1)C1(O)C(=O)N(Cc2ccccc2)c2ccc(C)cc21.
What is the InChIKey of 1-benzyl-3-hydroxy-5-methyl-3-[(E)-1-phenylprop-1-enyl]indol-2-one?
The InChIKey is CLUXTEBPCIYTPE-WSVFEZOKSA-N. The full InChI is InChI=1S/C25H23NO2/c1-3-21(20-12-8-5-9-13-20)25(28)22-16-18(2)14-15-23(22)26(24(25)27)17-19-10-6-4-7-11-19/h3-16,28H,17H2,1-2H3/b21-3+.
What are the key properties of 1-benzyl-3-hydroxy-5-methyl-3-[(E)-1-phenylprop-1-enyl]indol-2-one?
1-benzyl-3-hydroxy-5-methyl-3-[(E)-1-phenylprop-1-enyl]indol-2-one has a molecular weight of 369.46 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-hydroxy-5-methyl-3-[(E)-1-phenylprop-1-enyl]indol-2-one is sourced from PubChem (CID 132571208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).