3-hydroxy-6-methoxy-1-methyl-3-phenylindol-2-one

C16H15NO3 — CID 139255146

IUPAC3-hydroxy-6-methoxy-1-methyl-3-phenylindol-2-one
SMILESCOc1ccc2c(c1)N(C)C(=O)C2(O)c1ccccc1
InChIInChI=1S/C16H15NO3/c1-17-14-10-12(20-2)8-9-13(14)16(19,15(17)18)11-6-4-3-5-7-11/h3-10,19H,1-2H3
InChIKeyHWTBGJZFFCYBET-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.91
Rot. Bonds2

About 3-hydroxy-6-methoxy-1-methyl-3-phenylindol-2-one

3-hydroxy-6-methoxy-1-methyl-3-phenylindol-2-one (PubChem CID 139255146) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-hydroxy-6-methoxy-1-methyl-3-phenylindol-2-one.

Molecular Properties

Compound Name3-hydroxy-6-methoxy-1-methyl-3-phenylindol-2-one
PubChem CID139255146
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name3-hydroxy-6-methoxy-1-methyl-3-phenylindol-2-one
SMILESCOc1ccc2c(c1)N(C)C(=O)C2(O)c1ccccc1
InChIInChI=1S/C16H15NO3/c1-17-14-10-12(20-2)8-9-13(14)16(19,15(17)18)11-6-4-3-5-7-11/h3-10,19H,1-2H3
InChIKeyHWTBGJZFFCYBET-UHFFFAOYSA-N
XLogP1.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-hydroxy-3-(5-methoxy-1-methylindol-3-yl)-1-methylindol-2-one
CID 164672152
3-hydroxy-1-methyl-3-phenyl-5-propan-2-ylindol-2-one
CID 102166868
(2R,3S)-3-hydroxy-11-methoxy-8-methyl-2-phenyl-5,8-diazatricyclo[7.4.0.02,5]trideca-1(9),10,12-triene-4,7-dione
CID 91010704
N-(3,5-dimethoxyphenyl)-2-(3-hydroxy-2-oxo-3-phenylindol-1-yl)acetamide
CID 53144251
N-(2,4-dimethoxyphenyl)-2-[(3R)-3-hydroxy-2-oxo-3-phenylindol-1-yl]acetamide
CID 95095528
3-hydroxy-1-methyl-3-phenylquinoline-2,4-dione
CID 2784777
2-[(3R)-3-hydroxy-2-oxo-3-phenylindol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 95095552
N-[(3-benzamido-5-methoxy-1-methyl-2-oxoindol-3-yl)methyl]benzamide
CID 171636455
2-(3-hydroxy-2-oxo-3-phenylindol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 53144266
3-bromo-5-methoxy-1,3-dimethylindol-2-one
CID 163653219
3-hydroxy-1-methyl-3-[4-(trifluoromethyl)phenyl]indol-2-one
CID 44603962
3-hydroxy-3-(4-methoxyphenyl)-5-methyl-1-tritylindol-2-one
CID 102051245

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methoxy-1-methyl-3-phenylindol-2-one?
The IUPAC name of 3-hydroxy-6-methoxy-1-methyl-3-phenylindol-2-one (CID 139255146) is 3-hydroxy-6-methoxy-1-methyl-3-phenylindol-2-one.
What is the SMILES notation for 3-hydroxy-6-methoxy-1-methyl-3-phenylindol-2-one?
The canonical SMILES for 3-hydroxy-6-methoxy-1-methyl-3-phenylindol-2-one is COc1ccc2c(c1)N(C)C(=O)C2(O)c1ccccc1.
What is the InChIKey of 3-hydroxy-6-methoxy-1-methyl-3-phenylindol-2-one?
The InChIKey is HWTBGJZFFCYBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-17-14-10-12(20-2)8-9-13(14)16(19,15(17)18)11-6-4-3-5-7-11/h3-10,19H,1-2H3.
What are the key properties of 3-hydroxy-6-methoxy-1-methyl-3-phenylindol-2-one?
3-hydroxy-6-methoxy-1-methyl-3-phenylindol-2-one has a molecular weight of 269.30 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methoxy-1-methyl-3-phenylindol-2-one is sourced from PubChem (CID 139255146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).