(5-methyl-1H-indol-2-yl)-(4-methylphenyl)methanone

C17H15NO — CID 59088766

IUPAC(5-methyl-1H-indol-2-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc3cc(C)ccc3[nH]2)cc1
InChIInChI=1S/C17H15NO/c1-11-3-6-13(7-4-11)17(19)16-10-14-9-12(2)5-8-15(14)18-16/h3-10,18H,1-2H3
InChIKeyQGAOKUVEGCNOKP-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.02
Rot. Bonds2

About (5-methyl-1H-indol-2-yl)-(4-methylphenyl)methanone

(5-methyl-1H-indol-2-yl)-(4-methylphenyl)methanone (PubChem CID 59088766) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is (5-methyl-1H-indol-2-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(5-methyl-1H-indol-2-yl)-(4-methylphenyl)methanone
PubChem CID59088766
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name(5-methyl-1H-indol-2-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc3cc(C)ccc3[nH]2)cc1
InChIInChI=1S/C17H15NO/c1-11-3-6-13(7-4-11)17(19)16-10-14-9-12(2)5-8-15(14)18-16/h3-10,18H,1-2H3
InChIKeyQGAOKUVEGCNOKP-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,5-dimethylphenyl)-(5-methyl-1H-indol-2-yl)methanone
CID 59088763
(3-aminooxy-5-hydroxyphenyl)-(5-methyl-1H-indol-2-yl)methanone
CID 91015515
(5-hydroxy-1H-indol-2-yl)-(6-methyl-1H-indol-2-yl)methanone
CID 11666441
3-(5-methyl-1H-indol-2-yl)-3-oxopropanoic acid
CID 165356574
2-(methylamino)-1-(5-methyl-1H-indol-2-yl)ethanone
CID 82397100
N-(2-hydroxyethyl)-5-methyl-1H-indole-2-carboxamide
CID 89488958
N-(4-acetylphenyl)-5-methyl-1H-indole-2-carboxamide
CID 110861116
1-[4-(1H-indole-2-carbonyl)phenyl]ethanone
CID 139733709
ethane;ethene;fluoro 5-methyl-1H-indole-2-carboxylate
CID 145277131
5-methyl-N-phenyl-1H-indole-2-carboxamide
CID 3254922
5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide
CID 4011828
(5-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 4210929

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-indol-2-yl)-(4-methylphenyl)methanone?
The IUPAC name of (5-methyl-1H-indol-2-yl)-(4-methylphenyl)methanone (CID 59088766) is (5-methyl-1H-indol-2-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (5-methyl-1H-indol-2-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (5-methyl-1H-indol-2-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2cc3cc(C)ccc3[nH]2)cc1.
What is the InChIKey of (5-methyl-1H-indol-2-yl)-(4-methylphenyl)methanone?
The InChIKey is QGAOKUVEGCNOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-11-3-6-13(7-4-11)17(19)16-10-14-9-12(2)5-8-15(14)18-16/h3-10,18H,1-2H3.
What are the key properties of (5-methyl-1H-indol-2-yl)-(4-methylphenyl)methanone?
(5-methyl-1H-indol-2-yl)-(4-methylphenyl)methanone has a molecular weight of 249.31 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-indol-2-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 59088766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).