(4-methyl-1H-indol-3-yl)-(3-methylphenyl)methanone

C17H15NO — CID 43341896

IUPAC(4-methyl-1H-indol-3-yl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2c[nH]c3cccc(C)c23)c1
InChIInChI=1S/C17H15NO/c1-11-5-3-7-13(9-11)17(19)14-10-18-15-8-4-6-12(2)16(14)15/h3-10,18H,1-2H3
InChIKeySNVSDMDAURBZFH-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.02
Rot. Bonds2

About (4-methyl-1H-indol-3-yl)-(3-methylphenyl)methanone

(4-methyl-1H-indol-3-yl)-(3-methylphenyl)methanone (PubChem CID 43341896) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is (4-methyl-1H-indol-3-yl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Name(4-methyl-1H-indol-3-yl)-(3-methylphenyl)methanone
PubChem CID43341896
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name(4-methyl-1H-indol-3-yl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2c[nH]c3cccc(C)c23)c1
InChIInChI=1S/C17H15NO/c1-11-5-3-7-13(9-11)17(19)14-10-18-15-8-4-6-12(2)16(14)15/h3-10,18H,1-2H3
InChIKeySNVSDMDAURBZFH-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

(3-bromo-4-methylphenyl)-(4-methyl-1H-indol-3-yl)methanone
CID 81472357
1-(4-methyl-1H-indol-3-yl)-2-phenylethane-1,2-dione
CID 135028802
(6-fluoro-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 43342087
(2,4-dibromophenyl)-(4-methyl-1H-indol-3-yl)methanone
CID 107949775
2,2-dimethyl-1-(4-methyl-1H-indol-3-yl)propan-1-one
CID 43163357
bis(3-methylphenyl)methanone
CID 17848
(2-bromo-3-methylphenyl)-(3-methylphenyl)methanone
CID 107984414
(3-bromothiophen-2-yl)-(4-methyl-1H-indol-3-yl)methanone
CID 63796678
4-methyl-3-prop-1-en-2-yl-1H-indole
CID 143884090
3-(3-amino-4-methylbenzoyl)-1H-indole-4-carbonitrile
CID 107919650
(5-ethoxy-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 80649082
(3-chloro-5-methylphenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164261

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1H-indol-3-yl)-(3-methylphenyl)methanone?
The IUPAC name of (4-methyl-1H-indol-3-yl)-(3-methylphenyl)methanone (CID 43341896) is (4-methyl-1H-indol-3-yl)-(3-methylphenyl)methanone.
What is the SMILES notation for (4-methyl-1H-indol-3-yl)-(3-methylphenyl)methanone?
The canonical SMILES for (4-methyl-1H-indol-3-yl)-(3-methylphenyl)methanone is Cc1cccc(C(=O)c2c[nH]c3cccc(C)c23)c1.
What is the InChIKey of (4-methyl-1H-indol-3-yl)-(3-methylphenyl)methanone?
The InChIKey is SNVSDMDAURBZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-11-5-3-7-13(9-11)17(19)14-10-18-15-8-4-6-12(2)16(14)15/h3-10,18H,1-2H3.
What are the key properties of (4-methyl-1H-indol-3-yl)-(3-methylphenyl)methanone?
(4-methyl-1H-indol-3-yl)-(3-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 (4-methyl-1H-indol-3-yl)-(3-methylphenyl)methanone is sourced from PubChem (CID 43341896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).