(3-bromo-4-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone

C17H14BrNO — CID 81472433

IUPAC(3-bromo-4-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
SMILESCc1ccc2c(C(=O)c3ccc(C)c(Br)c3)c[nH]c2c1
InChIInChI=1S/C17H14BrNO/c1-10-3-6-13-14(9-19-16(13)7-10)17(20)12-5-4-11(2)15(18)8-12/h3-9,19H,1-2H3
InChIKeyWORYYEIVUQVECS-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.78
Rot. Bonds2

About (3-bromo-4-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone

(3-bromo-4-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone (PubChem CID 81472433) has the molecular formula C17H14BrNO and a molecular weight of 328.21 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
PubChem CID81472433
Molecular FormulaC17H14BrNO
Molecular Weight328.21 g/mol
Exact Mass327.03
IUPAC Name(3-bromo-4-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
SMILESCc1ccc2c(C(=O)c3ccc(C)c(Br)c3)c[nH]c2c1
InChIInChI=1S/C17H14BrNO/c1-10-3-6-13-14(9-19-16(13)7-10)17(20)12-5-4-11(2)15(18)8-12/h3-9,19H,1-2H3
InChIKeyWORYYEIVUQVECS-UHFFFAOYSA-N
XLogP4.78
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-amino-3-chlorophenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 82787189
(3-bromo-4-methylphenyl)-(4-methyl-1H-indol-3-yl)methanone
CID 81472357
(2-bromo-3-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 107981662
(2-amino-5-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 65453793
3-(3,4-dimethylbenzoyl)-1H-indole-6-carbonitrile
CID 107916644
(4-bromophenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 63555156
(5-bromofuran-2-yl)-(6-methyl-1H-indol-3-yl)methanone
CID 43463712
(6-methyl-1H-indol-3-yl)-pyridin-3-ylmethanone
CID 43341972
(2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43163503
(6-fluoro-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 43342087
(6-fluoro-1H-indol-3-yl)-(4-fluoro-3-methylphenyl)methanone
CID 63209854
(2-amino-5-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone
CID 65455500

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone?
The IUPAC name of (3-bromo-4-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone (CID 81472433) is (3-bromo-4-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (3-bromo-4-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for (3-bromo-4-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone is Cc1ccc2c(C(=O)c3ccc(C)c(Br)c3)c[nH]c2c1.
What is the InChIKey of (3-bromo-4-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone?
The InChIKey is WORYYEIVUQVECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO/c1-10-3-6-13-14(9-19-16(13)7-10)17(20)12-5-4-11(2)15(18)8-12/h3-9,19H,1-2H3.
What are the key properties of (3-bromo-4-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone?
(3-bromo-4-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone has a molecular weight of 328.21 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 81472433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).