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

C13H11BrOS — CID 79982080

IUPAC(5-bromo-4-methylthiophen-2-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc(C)c(Br)s2)cc1
InChIInChI=1S/C13H11BrOS/c1-8-3-5-10(6-4-8)12(15)11-7-9(2)13(14)16-11/h3-7H,1-2H3
InChIKeyGRRGGQIRMHRDJT-UHFFFAOYSA-N
MW295.20 g/mol
LogP4.36
Rot. Bonds2

About (5-bromo-4-methylthiophen-2-yl)-(4-methylphenyl)methanone

(5-bromo-4-methylthiophen-2-yl)-(4-methylphenyl)methanone (PubChem CID 79982080) has the molecular formula C13H11BrOS and a molecular weight of 295.20 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(4-methylphenyl)methanone
PubChem CID79982080
Molecular FormulaC13H11BrOS
Molecular Weight295.20 g/mol
Exact Mass293.97
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc(C)c(Br)s2)cc1
InChIInChI=1S/C13H11BrOS/c1-8-3-5-10(6-4-8)12(15)11-7-9(2)13(14)16-11/h3-7H,1-2H3
InChIKeyGRRGGQIRMHRDJT-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

(5-bromo-4-chlorothiophen-2-yl)-(4-methylphenyl)methanone
CID 80531734
(5-bromo-4-methylthiophen-2-yl)-(3,5-difluorophenyl)methanone
CID 79997059
(5-bromo-4-methylthiophen-2-yl)-(3-chloro-4-fluorophenyl)methanone
CID 82875843
(4-bromo-2-methylphenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79997217
[4-bromo-5-(4-methylphenyl)thiophen-2-yl]-(4-methylphenyl)methanone
CID 177421349
(5-bromo-4-methylthiophen-2-yl)-(3,4-diethoxyphenyl)methanone
CID 79976793
(5-bromo-4-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 79997568
5-(5-bromo-4-methylthiophene-2-carbonyl)-1,3-dihydroindol-2-one
CID 79981848
(5-bromo-4-methylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone
CID 79996537
(2-aminophenyl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 79991172
(5-bromo-4-methylthiophen-2-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 79981125
(5-bromo-4-methylthiophen-2-yl)-(1,6-dimethylindol-3-yl)methanone
CID 116546989

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(4-methylphenyl)methanone?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(4-methylphenyl)methanone (CID 79982080) is (5-bromo-4-methylthiophen-2-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2cc(C)c(Br)s2)cc1.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(4-methylphenyl)methanone?
The InChIKey is GRRGGQIRMHRDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrOS/c1-8-3-5-10(6-4-8)12(15)11-7-9(2)13(14)16-11/h3-7H,1-2H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(4-methylphenyl)methanone?
(5-bromo-4-methylthiophen-2-yl)-(4-methylphenyl)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 (5-bromo-4-methylthiophen-2-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 79982080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).