(3,4-dibromothiophen-2-yl)-(2-methoxyphenyl)methanone

C12H8Br2O2S — CID 79602326

IUPAC(3,4-dibromothiophen-2-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1scc(Br)c1Br
InChIInChI=1S/C12H8Br2O2S/c1-16-9-5-3-2-4-7(9)11(15)12-10(14)8(13)6-17-12/h2-6H,1H3
InChIKeyCVYZVNQXBBRINH-UHFFFAOYSA-N
MW376.07 g/mol
LogP4.51
Rot. Bonds3

About (3,4-dibromothiophen-2-yl)-(2-methoxyphenyl)methanone

(3,4-dibromothiophen-2-yl)-(2-methoxyphenyl)methanone (PubChem CID 79602326) has the molecular formula C12H8Br2O2S and a molecular weight of 376.07 g/mol. Its IUPAC name is (3,4-dibromothiophen-2-yl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3,4-dibromothiophen-2-yl)-(2-methoxyphenyl)methanone
PubChem CID79602326
Molecular FormulaC12H8Br2O2S
Molecular Weight376.07 g/mol
Exact Mass373.86
IUPAC Name(3,4-dibromothiophen-2-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1scc(Br)c1Br
InChIInChI=1S/C12H8Br2O2S/c1-16-9-5-3-2-4-7(9)11(15)12-10(14)8(13)6-17-12/h2-6H,1H3
InChIKeyCVYZVNQXBBRINH-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

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(2,6-dimethylphenyl)-(2-methoxyphenyl)methanone
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(3-amino-2-methylphenyl)-(2-methoxyphenyl)methanone
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1,3-bis(2-methoxyphenyl)propane-1,3-dione
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Frequently Asked Questions

What is the IUPAC name of (3,4-dibromothiophen-2-yl)-(2-methoxyphenyl)methanone?
The IUPAC name of (3,4-dibromothiophen-2-yl)-(2-methoxyphenyl)methanone (CID 79602326) is (3,4-dibromothiophen-2-yl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (3,4-dibromothiophen-2-yl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (3,4-dibromothiophen-2-yl)-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)c1scc(Br)c1Br.
What is the InChIKey of (3,4-dibromothiophen-2-yl)-(2-methoxyphenyl)methanone?
The InChIKey is CVYZVNQXBBRINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2O2S/c1-16-9-5-3-2-4-7(9)11(15)12-10(14)8(13)6-17-12/h2-6H,1H3.
What are the key properties of (3,4-dibromothiophen-2-yl)-(2-methoxyphenyl)methanone?
(3,4-dibromothiophen-2-yl)-(2-methoxyphenyl)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 (3,4-dibromothiophen-2-yl)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 79602326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).