(3-methylindol-1-yl)-(2-methylphenyl)methanone

C17H15NO — CID 101389123

IUPAC(3-methylindol-1-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)n1cc(C)c2ccccc21
InChIInChI=1S/C17H15NO/c1-12-7-3-4-9-15(12)17(19)18-11-13(2)14-8-5-6-10-16(14)18/h3-11H,1-2H3
InChIKeyCZIHCKLVGKTWQZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.95
Rot. Bonds1

About (3-methylindol-1-yl)-(2-methylphenyl)methanone

(3-methylindol-1-yl)-(2-methylphenyl)methanone (PubChem CID 101389123) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is (3-methylindol-1-yl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(3-methylindol-1-yl)-(2-methylphenyl)methanone
PubChem CID101389123
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name(3-methylindol-1-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)n1cc(C)c2ccccc21
InChIInChI=1S/C17H15NO/c1-12-7-3-4-9-15(12)17(19)18-11-13(2)14-8-5-6-10-16(14)18/h3-11H,1-2H3
InChIKeyCZIHCKLVGKTWQZ-UHFFFAOYSA-N
XLogP3.95
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-iodophenyl)-(3-methylindol-1-yl)methanone
CID 72942182
1-(2-methylbenzoyl)indole-3-carbaldehyde
CID 82122132
(5-amino-3-methylindol-1-yl)-(2-hydroxyphenyl)methanone
CID 142886365
methyl 1-(2,4-dimethylbenzoyl)indole-3-carboxylate
CID 925279
formic acid;(3-methylindol-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 143113823
(3-methylindol-1-yl) 2-oxopropanoate
CID 167993245
1-(2-fluorobenzoyl)indole-3-carbohydrazide
CID 91690349
1-(2-methoxybenzoyl)indole-3-carboxamide
CID 91690536
(2-fluorophenyl)-[3-(hydroxymethyl)indol-1-yl]methanone
CID 91690338
1-(2-bromobenzoyl)indole-3-carboxamide
CID 91690367
2-[(3-methylindol-1-yl)carbamoyl]benzoic acid
CID 19036965
2-methyl-3-(2-methylbenzoyl)quinazolin-4-one
CID 69343372

Frequently Asked Questions

What is the IUPAC name of (3-methylindol-1-yl)-(2-methylphenyl)methanone?
The IUPAC name of (3-methylindol-1-yl)-(2-methylphenyl)methanone (CID 101389123) is (3-methylindol-1-yl)-(2-methylphenyl)methanone.
What is the SMILES notation for (3-methylindol-1-yl)-(2-methylphenyl)methanone?
The canonical SMILES for (3-methylindol-1-yl)-(2-methylphenyl)methanone is Cc1ccccc1C(=O)n1cc(C)c2ccccc21.
What is the InChIKey of (3-methylindol-1-yl)-(2-methylphenyl)methanone?
The InChIKey is CZIHCKLVGKTWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-12-7-3-4-9-15(12)17(19)18-11-13(2)14-8-5-6-10-16(14)18/h3-11H,1-2H3.
What are the key properties of (3-methylindol-1-yl)-(2-methylphenyl)methanone?
(3-methylindol-1-yl)-(2-methylphenyl)methanone has a molecular weight of 249.31 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylindol-1-yl)-(2-methylphenyl)methanone is sourced from PubChem (CID 101389123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).