(2-bromo-5-methoxyphenyl)-(4-bromothiophen-3-yl)methanone

C12H8Br2O2S — CID 105116061

IUPAC(2-bromo-5-methoxyphenyl)-(4-bromothiophen-3-yl)methanone
SMILESCOc1ccc(Br)c(C(=O)c2cscc2Br)c1
InChIInChI=1S/C12H8Br2O2S/c1-16-7-2-3-10(13)8(4-7)12(15)9-5-17-6-11(9)14/h2-6H,1H3
InChIKeyJUEUHLPWLZNHAJ-UHFFFAOYSA-N
MW376.07 g/mol
LogP4.51
Rot. Bonds3

About (2-bromo-5-methoxyphenyl)-(4-bromothiophen-3-yl)methanone

(2-bromo-5-methoxyphenyl)-(4-bromothiophen-3-yl)methanone (PubChem CID 105116061) has the molecular formula C12H8Br2O2S and a molecular weight of 376.07 g/mol. Its IUPAC name is (2-bromo-5-methoxyphenyl)-(4-bromothiophen-3-yl)methanone.

Molecular Properties

Compound Name(2-bromo-5-methoxyphenyl)-(4-bromothiophen-3-yl)methanone
PubChem CID105116061
Molecular FormulaC12H8Br2O2S
Molecular Weight376.07 g/mol
Exact Mass373.86
IUPAC Name(2-bromo-5-methoxyphenyl)-(4-bromothiophen-3-yl)methanone
SMILESCOc1ccc(Br)c(C(=O)c2cscc2Br)c1
InChIInChI=1S/C12H8Br2O2S/c1-16-7-2-3-10(13)8(4-7)12(15)9-5-17-6-11(9)14/h2-6H,1H3
InChIKeyJUEUHLPWLZNHAJ-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.07
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-5-methoxyphenyl)-(2-bromophenyl)methanone
CID 138970439
(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 105079993
(2-bromo-5-fluorophenyl)-(2-bromo-4-methoxyphenyl)methanone
CID 60788123
(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanone
CID 106764172
1-(2-bromo-5-methoxyphenyl)prop-2-en-1-one
CID 105110975
1-(2-bromo-5-methoxyphenyl)prop-2-yn-1-one
CID 105108267
(2-bromo-5-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 105095598
ethyl 2-bromo-5-methoxybenzoate
CID 43389585
(4-bromothiophen-3-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 115784193
(4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanone
CID 115784127
(2-bromo-5-methoxyphenyl)-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464279
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-1-one
CID 83988112

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methoxyphenyl)-(4-bromothiophen-3-yl)methanone?
The IUPAC name of (2-bromo-5-methoxyphenyl)-(4-bromothiophen-3-yl)methanone (CID 105116061) is (2-bromo-5-methoxyphenyl)-(4-bromothiophen-3-yl)methanone.
What is the SMILES notation for (2-bromo-5-methoxyphenyl)-(4-bromothiophen-3-yl)methanone?
The canonical SMILES for (2-bromo-5-methoxyphenyl)-(4-bromothiophen-3-yl)methanone is COc1ccc(Br)c(C(=O)c2cscc2Br)c1.
What is the InChIKey of (2-bromo-5-methoxyphenyl)-(4-bromothiophen-3-yl)methanone?
The InChIKey is JUEUHLPWLZNHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2O2S/c1-16-7-2-3-10(13)8(4-7)12(15)9-5-17-6-11(9)14/h2-6H,1H3.
What are the key properties of (2-bromo-5-methoxyphenyl)-(4-bromothiophen-3-yl)methanone?
(2-bromo-5-methoxyphenyl)-(4-bromothiophen-3-yl)methanone has a molecular weight of 376.07 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methoxyphenyl)-(4-bromothiophen-3-yl)methanone is sourced from PubChem (CID 105116061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).