(4-bromo-3-methylphenyl)-(2-methylthiophen-3-yl)methanone

C13H11BrOS — CID 102840024

IUPAC(4-bromo-3-methylphenyl)-(2-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2ccsc2C)ccc1Br
InChIInChI=1S/C13H11BrOS/c1-8-7-10(3-4-12(8)14)13(15)11-5-6-16-9(11)2/h3-7H,1-2H3
InChIKeyWZZNEBOFOAVHPL-UHFFFAOYSA-N
MW295.20 g/mol
LogP4.36
Rot. Bonds2

About (4-bromo-3-methylphenyl)-(2-methylthiophen-3-yl)methanone

(4-bromo-3-methylphenyl)-(2-methylthiophen-3-yl)methanone (PubChem CID 102840024) has the molecular formula C13H11BrOS and a molecular weight of 295.20 g/mol. Its IUPAC name is (4-bromo-3-methylphenyl)-(2-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-bromo-3-methylphenyl)-(2-methylthiophen-3-yl)methanone
PubChem CID102840024
Molecular FormulaC13H11BrOS
Molecular Weight295.20 g/mol
Exact Mass293.97
IUPAC Name(4-bromo-3-methylphenyl)-(2-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2ccsc2C)ccc1Br
InChIInChI=1S/C13H11BrOS/c1-8-7-10(3-4-12(8)14)13(15)11-5-6-16-9(11)2/h3-7H,1-2H3
InChIKeyWZZNEBOFOAVHPL-UHFFFAOYSA-N
XLogP4.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.20
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-3,5-dimethylphenyl)-(2-methylthiophen-3-yl)methanone
CID 102831155
(3-bromophenyl)-(2-methylthiophen-3-yl)methanone
CID 102830603
(4-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanone
CID 113396668
bis(2-methylthiophen-3-yl)methanone
CID 101441488
(2-aminophenyl)-(4-bromo-3-methylphenyl)methanone
CID 82073342
2-(4-bromo-3-methylbenzoyl)benzoic acid
CID 123816011
(4-bromo-3-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanone
CID 102826520
(4-bromo-3-methylphenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 113396681
(4-bromo-3-methylphenyl)-thiophen-3-ylmethanone
CID 54181857
(4-bromo-3-methylphenyl)-pyrimidin-5-ylmethanone
CID 114965823
(2-methylthiophen-3-yl)-quinolin-6-ylmethanone
CID 102830747
[2-(aminomethyl)-4-pyridinyl]-(2-methylthiophen-3-yl)methanone
CID 102839616

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-methylphenyl)-(2-methylthiophen-3-yl)methanone?
The IUPAC name of (4-bromo-3-methylphenyl)-(2-methylthiophen-3-yl)methanone (CID 102840024) is (4-bromo-3-methylphenyl)-(2-methylthiophen-3-yl)methanone.
What is the SMILES notation for (4-bromo-3-methylphenyl)-(2-methylthiophen-3-yl)methanone?
The canonical SMILES for (4-bromo-3-methylphenyl)-(2-methylthiophen-3-yl)methanone is Cc1cc(C(=O)c2ccsc2C)ccc1Br.
What is the InChIKey of (4-bromo-3-methylphenyl)-(2-methylthiophen-3-yl)methanone?
The InChIKey is WZZNEBOFOAVHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrOS/c1-8-7-10(3-4-12(8)14)13(15)11-5-6-16-9(11)2/h3-7H,1-2H3.
What are the key properties of (4-bromo-3-methylphenyl)-(2-methylthiophen-3-yl)methanone?
(4-bromo-3-methylphenyl)-(2-methylthiophen-3-yl)methanone has a molecular weight of 295.20 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-methylphenyl)-(2-methylthiophen-3-yl)methanone is sourced from PubChem (CID 102840024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).