1-(6-methyl-2-phenyl-1H-indol-3-yl)ethanone

C17H15NO — CID 139093839

IUPAC1-(6-methyl-2-phenyl-1H-indol-3-yl)ethanone
SMILESCC(=O)c1c(-c2ccccc2)[nH]c2cc(C)ccc12
InChIInChI=1S/C17H15NO/c1-11-8-9-14-15(10-11)18-17(16(14)12(2)19)13-6-4-3-5-7-13/h3-10,18H,1-2H3
InChIKeyOKXKDVFEJBIKAP-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.35
Rot. Bonds2

About 1-(6-methyl-2-phenyl-1H-indol-3-yl)ethanone

1-(6-methyl-2-phenyl-1H-indol-3-yl)ethanone (PubChem CID 139093839) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(6-methyl-2-phenyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(6-methyl-2-phenyl-1H-indol-3-yl)ethanone
PubChem CID139093839
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name1-(6-methyl-2-phenyl-1H-indol-3-yl)ethanone
SMILESCC(=O)c1c(-c2ccccc2)[nH]c2cc(C)ccc12
InChIInChI=1S/C17H15NO/c1-11-8-9-14-15(10-11)18-17(16(14)12(2)19)13-6-4-3-5-7-13/h3-10,18H,1-2H3
InChIKeyOKXKDVFEJBIKAP-UHFFFAOYSA-N
XLogP4.35
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-dimethyl-1H-indol-3-yl)ethanone
CID 51342127
6-methyl-3-[(6-methyl-2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole
CID 166069538
6-methyl-2-phenyl-3-phenylsulfanyl-1H-indole
CID 138969708
3-acetyl-2-methyl-1H-indole-6-carboxylic acid
CID 105470655
3,5-dimethyl-2-phenyl-1H-indole;ethane
CID 91536614
3-methyl-5H-phenanthridin-6-one
CID 59877971
3-methyl-2-phenyl-1H-indol-6-ol
CID 22141383
8-methyl-5-phenyl-1H-1-benzazepine-2,3-dione
CID 57212353
6-methyl-2-(trifluoromethyl)-1H-indole-3-carboxylic acid
CID 83488076
N-(4-methylphenyl)sulfonyl-2-phenyl-1H-indole-3-carboxamide
CID 162411750
1-(2-methyl-4-nitro-5-phenyl-1H-pyrrol-3-yl)ethanone
CID 14616639
methyl 2,6-dimethyl-1H-indole-3-carboxylate
CID 74890490

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-phenyl-1H-indol-3-yl)ethanone?
The IUPAC name of 1-(6-methyl-2-phenyl-1H-indol-3-yl)ethanone (CID 139093839) is 1-(6-methyl-2-phenyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(6-methyl-2-phenyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(6-methyl-2-phenyl-1H-indol-3-yl)ethanone is CC(=O)c1c(-c2ccccc2)[nH]c2cc(C)ccc12.
What is the InChIKey of 1-(6-methyl-2-phenyl-1H-indol-3-yl)ethanone?
The InChIKey is OKXKDVFEJBIKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-11-8-9-14-15(10-11)18-17(16(14)12(2)19)13-6-4-3-5-7-13/h3-10,18H,1-2H3.
What are the key properties of 1-(6-methyl-2-phenyl-1H-indol-3-yl)ethanone?
1-(6-methyl-2-phenyl-1H-indol-3-yl)ethanone has a molecular weight of 249.31 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-phenyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 139093839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).