1-(5-hydroxy-2-methyl-1-phenylindol-3-yl)ethanone

C17H15NO2 — CID 781247

IUPAC1-(5-hydroxy-2-methyl-1-phenylindol-3-yl)ethanone
SMILESCC(=O)c1c(C)n(-c2ccccc2)c2ccc(O)cc12
InChIInChI=1S/C17H15NO2/c1-11-17(12(2)19)15-10-14(20)8-9-16(15)18(11)13-6-4-3-5-7-13/h3-10,20H,1-2H3
InChIKeyIXJWGFZUYLKRRY-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.85
Rot. Bonds2

About 1-(5-hydroxy-2-methyl-1-phenylindol-3-yl)ethanone

1-(5-hydroxy-2-methyl-1-phenylindol-3-yl)ethanone (PubChem CID 781247) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(5-hydroxy-2-methyl-1-phenylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-hydroxy-2-methyl-1-phenylindol-3-yl)ethanone
PubChem CID781247
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name1-(5-hydroxy-2-methyl-1-phenylindol-3-yl)ethanone
SMILESCC(=O)c1c(C)n(-c2ccccc2)c2ccc(O)cc12
InChIInChI=1S/C17H15NO2/c1-11-17(12(2)19)15-10-14(20)8-9-16(15)18(11)13-6-4-3-5-7-13/h3-10,20H,1-2H3
InChIKeyIXJWGFZUYLKRRY-UHFFFAOYSA-N
XLogP3.85
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-2-methyl-1-phenylindol-3-yl)ethanone?
The IUPAC name of 1-(5-hydroxy-2-methyl-1-phenylindol-3-yl)ethanone (CID 781247) is 1-(5-hydroxy-2-methyl-1-phenylindol-3-yl)ethanone.
What is the SMILES notation for 1-(5-hydroxy-2-methyl-1-phenylindol-3-yl)ethanone?
The canonical SMILES for 1-(5-hydroxy-2-methyl-1-phenylindol-3-yl)ethanone is CC(=O)c1c(C)n(-c2ccccc2)c2ccc(O)cc12.
What is the InChIKey of 1-(5-hydroxy-2-methyl-1-phenylindol-3-yl)ethanone?
The InChIKey is IXJWGFZUYLKRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-11-17(12(2)19)15-10-14(20)8-9-16(15)18(11)13-6-4-3-5-7-13/h3-10,20H,1-2H3.
What are the key properties of 1-(5-hydroxy-2-methyl-1-phenylindol-3-yl)ethanone?
1-(5-hydroxy-2-methyl-1-phenylindol-3-yl)ethanone has a molecular weight of 265.31 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-2-methyl-1-phenylindol-3-yl)ethanone is sourced from PubChem (CID 781247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).