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

C18H17NO — CID 43341943

IUPAC1-(6-methyl-1H-indol-3-yl)-2-(2-methylphenyl)ethanone
SMILESCc1ccc2c(C(=O)Cc3ccccc3C)c[nH]c2c1
InChIInChI=1S/C18H17NO/c1-12-7-8-15-16(11-19-17(15)9-12)18(20)10-14-6-4-3-5-13(14)2/h3-9,11,19H,10H2,1-2H3
InChIKeyHSSKNNFPONJQLL-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.21
Rot. Bonds3

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

1-(6-methyl-1H-indol-3-yl)-2-(2-methylphenyl)ethanone (PubChem CID 43341943) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(6-methyl-1H-indol-3-yl)-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(6-methyl-1H-indol-3-yl)-2-(2-methylphenyl)ethanone
PubChem CID43341943
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name1-(6-methyl-1H-indol-3-yl)-2-(2-methylphenyl)ethanone
SMILESCc1ccc2c(C(=O)Cc3ccccc3C)c[nH]c2c1
InChIInChI=1S/C18H17NO/c1-12-7-8-15-16(11-19-17(15)9-12)18(20)10-14-6-4-3-5-13(14)2/h3-9,11,19H,10H2,1-2H3
InChIKeyHSSKNNFPONJQLL-UHFFFAOYSA-N
XLogP4.21
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methoxyphenyl)-1-(6-methyl-1H-indol-3-yl)ethanone
CID 43163430
1-(5-bromo-1H-indol-3-yl)-2-(2-methylphenyl)ethanone
CID 43340401
1-(6-methyl-1H-indol-3-yl)-2-phenylsulfanylethanone
CID 913288
2-(diethylamino)-1-(6-methyl-1H-indol-3-yl)ethanone
CID 904242
1-(1H-indol-3-yl)-2-(3-methylphenyl)ethanone
CID 588980
(2-bromo-3-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 107981662
2-cycloheptyl-1-(6-methyl-1H-indol-3-yl)ethanone
CID 114457331
(2-amino-5-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 65453793
ethyl 2-(6-methyl-1H-indol-3-yl)-2-oxoacetate
CID 55017679
1,2-bis(2-methylphenyl)ethanone
CID 11345119
1-(6-amino-1H-indol-3-yl)-2-phenylethanone
CID 57257325
6-methoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide
CID 113206529

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-1H-indol-3-yl)-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-(6-methyl-1H-indol-3-yl)-2-(2-methylphenyl)ethanone (CID 43341943) is 1-(6-methyl-1H-indol-3-yl)-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-(6-methyl-1H-indol-3-yl)-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-(6-methyl-1H-indol-3-yl)-2-(2-methylphenyl)ethanone is Cc1ccc2c(C(=O)Cc3ccccc3C)c[nH]c2c1.
What is the InChIKey of 1-(6-methyl-1H-indol-3-yl)-2-(2-methylphenyl)ethanone?
The InChIKey is HSSKNNFPONJQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-12-7-8-15-16(11-19-17(15)9-12)18(20)10-14-6-4-3-5-13(14)2/h3-9,11,19H,10H2,1-2H3.
What are the key properties of 1-(6-methyl-1H-indol-3-yl)-2-(2-methylphenyl)ethanone?
1-(6-methyl-1H-indol-3-yl)-2-(2-methylphenyl)ethanone has a molecular weight of 263.34 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-1H-indol-3-yl)-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 43341943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).