4-bromo-3-(4-hydroxyphenyl)-1-methyl-3-phenylindol-2-one

C21H16BrNO2 — CID 71527342

IUPAC4-bromo-3-(4-hydroxyphenyl)-1-methyl-3-phenylindol-2-one
SMILESCN1C(=O)C(c2ccccc2)(c2ccc(O)cc2)c2c(Br)cccc21
InChIInChI=1S/C21H16BrNO2/c1-23-18-9-5-8-17(22)19(18)21(20(23)25,14-6-3-2-4-7-14)15-10-12-16(24)13-11-15/h2-13,24H,1H3
InChIKeyGXAXQUNSJNOHLL-UHFFFAOYSA-N
MW394.27 g/mol
LogP4.47
Rot. Bonds2

About 4-bromo-3-(4-hydroxyphenyl)-1-methyl-3-phenylindol-2-one

4-bromo-3-(4-hydroxyphenyl)-1-methyl-3-phenylindol-2-one (PubChem CID 71527342) has the molecular formula C21H16BrNO2 and a molecular weight of 394.27 g/mol. Its IUPAC name is 4-bromo-3-(4-hydroxyphenyl)-1-methyl-3-phenylindol-2-one.

Molecular Properties

Compound Name4-bromo-3-(4-hydroxyphenyl)-1-methyl-3-phenylindol-2-one
PubChem CID71527342
Molecular FormulaC21H16BrNO2
Molecular Weight394.27 g/mol
Exact Mass393.04
IUPAC Name4-bromo-3-(4-hydroxyphenyl)-1-methyl-3-phenylindol-2-one
SMILESCN1C(=O)C(c2ccccc2)(c2ccc(O)cc2)c2c(Br)cccc21
InChIInChI=1S/C21H16BrNO2/c1-23-18-9-5-8-17(22)19(18)21(20(23)25,14-6-3-2-4-7-14)15-10-12-16(24)13-11-15/h2-13,24H,1H3
InChIKeyGXAXQUNSJNOHLL-UHFFFAOYSA-N
XLogP4.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-4-bromo-3-(2-hydroxyethyl)-1-methylindol-2-one
CID 155760181
1-methoxy-3-methyl-5,5-diphenyl-1,3-diazinane-2,4,6-trione
CID 161316865
2-amino-5-(4-hydroxyphenyl)-3-methyl-5-phenylimidazol-4-one
CID 70867323
1-[4-[3,3-bis(4-hydroxyphenyl)-2-oxoindol-1-yl]butyl]-3,3-bis(4-hydroxyphenyl)indol-2-one
CID 169008050
4-[3-(4-cyanophenyl)-1-methyl-2-oxoindol-3-yl]benzonitrile
CID 175909189
3-hydroxy-1-methyl-3-phenylquinoline-2,4-dione
CID 2784777
4-(1,3-dimethyl-2H-benzimidazol-2-yl)phenol
CID 776564
(S)-N-[(3S)-4-bromo-1-methyl-2-oxo-3-prop-2-enylindol-3-yl]-2-methylpropane-2-sulfinamide
CID 164683034
(3S,6'R)-4-bromo-1-methyl-6'-propylspiro[indole-3,2'-oxane]-2,4'-dione
CID 134134061
3,3-difluoro-1,4-dimethylindol-2-one;ethane
CID 164860376
methyl (3S)-3-[(3S)-3-methoxycarbonyl-1-methyl-2-oxoindol-3-yl]-1-methyl-2-oxoindole-3-carboxylate
CID 122219444
1-methoxy-3,3-diphenylindol-2-one
CID 156782915

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(4-hydroxyphenyl)-1-methyl-3-phenylindol-2-one?
The IUPAC name of 4-bromo-3-(4-hydroxyphenyl)-1-methyl-3-phenylindol-2-one (CID 71527342) is 4-bromo-3-(4-hydroxyphenyl)-1-methyl-3-phenylindol-2-one.
What is the SMILES notation for 4-bromo-3-(4-hydroxyphenyl)-1-methyl-3-phenylindol-2-one?
The canonical SMILES for 4-bromo-3-(4-hydroxyphenyl)-1-methyl-3-phenylindol-2-one is CN1C(=O)C(c2ccccc2)(c2ccc(O)cc2)c2c(Br)cccc21.
What is the InChIKey of 4-bromo-3-(4-hydroxyphenyl)-1-methyl-3-phenylindol-2-one?
The InChIKey is GXAXQUNSJNOHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrNO2/c1-23-18-9-5-8-17(22)19(18)21(20(23)25,14-6-3-2-4-7-14)15-10-12-16(24)13-11-15/h2-13,24H,1H3.
What are the key properties of 4-bromo-3-(4-hydroxyphenyl)-1-methyl-3-phenylindol-2-one?
4-bromo-3-(4-hydroxyphenyl)-1-methyl-3-phenylindol-2-one has a molecular weight of 394.27 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(4-hydroxyphenyl)-1-methyl-3-phenylindol-2-one is sourced from PubChem (CID 71527342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).