(2,5-dimethylphenyl)-(5-methyl-1H-indol-2-yl)methanone

C18H17NO — CID 59088763

IUPAC(2,5-dimethylphenyl)-(5-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc(C)c(C(=O)c2cc3cc(C)ccc3[nH]2)c1
InChIInChI=1S/C18H17NO/c1-11-5-7-16-14(8-11)10-17(19-16)18(20)15-9-12(2)4-6-13(15)3/h4-10,19H,1-3H3
InChIKeyWSKRHQWWGGPRFL-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.32
Rot. Bonds2

About (2,5-dimethylphenyl)-(5-methyl-1H-indol-2-yl)methanone

(2,5-dimethylphenyl)-(5-methyl-1H-indol-2-yl)methanone (PubChem CID 59088763) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(5-methyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(5-methyl-1H-indol-2-yl)methanone
PubChem CID59088763
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name(2,5-dimethylphenyl)-(5-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc(C)c(C(=O)c2cc3cc(C)ccc3[nH]2)c1
InChIInChI=1S/C18H17NO/c1-11-5-7-16-14(8-11)10-17(19-16)18(20)15-9-12(2)4-6-13(15)3/h4-10,19H,1-3H3
InChIKeyWSKRHQWWGGPRFL-UHFFFAOYSA-N
XLogP4.32
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-methyl-1H-indol-2-yl)-(4-methylphenyl)methanone
CID 59088766
(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-[3-(dimethylamino)propyl]-5-methyl-1H-indole-2-carboxamide
CID 113207116
5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide
CID 4011828
ethane;ethene;fluoro 5-methyl-1H-indole-2-carboxylate
CID 145277131
(3-aminooxy-5-hydroxyphenyl)-(5-methyl-1H-indol-2-yl)methanone
CID 91015515
N-cyclohexyl-5-methyl-1H-indole-2-carboxamide
CID 3886919
5-methyl-N-phenyl-1H-indole-2-carboxamide
CID 3254922
5-chloro-N-(2,5-dimethylphenyl)-1H-indole-2-carboxamide
CID 113207220

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(5-methyl-1H-indol-2-yl)methanone?
The IUPAC name of (2,5-dimethylphenyl)-(5-methyl-1H-indol-2-yl)methanone (CID 59088763) is (2,5-dimethylphenyl)-(5-methyl-1H-indol-2-yl)methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-(5-methyl-1H-indol-2-yl)methanone?
The canonical SMILES for (2,5-dimethylphenyl)-(5-methyl-1H-indol-2-yl)methanone is Cc1ccc(C)c(C(=O)c2cc3cc(C)ccc3[nH]2)c1.
What is the InChIKey of (2,5-dimethylphenyl)-(5-methyl-1H-indol-2-yl)methanone?
The InChIKey is WSKRHQWWGGPRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-11-5-7-16-14(8-11)10-17(19-16)18(20)15-9-12(2)4-6-13(15)3/h4-10,19H,1-3H3.
What are the key properties of (2,5-dimethylphenyl)-(5-methyl-1H-indol-2-yl)methanone?
(2,5-dimethylphenyl)-(5-methyl-1H-indol-2-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-(5-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 59088763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).