1-(2-bromophenyl)-3-(3-bromothiophen-2-yl)propan-2-one

C13H10Br2OS — CID 62828798

IUPAC1-(2-bromophenyl)-3-(3-bromothiophen-2-yl)propan-2-one
SMILESO=C(Cc1ccccc1Br)Cc1sccc1Br
InChIInChI=1S/C13H10Br2OS/c14-11-4-2-1-3-9(11)7-10(16)8-13-12(15)5-6-17-13/h1-6H,7-8H2
InChIKeyJUCVKIFYZYOYHP-UHFFFAOYSA-N
MW374.10 g/mol
LogP4.63
Rot. Bonds4

About 1-(2-bromophenyl)-3-(3-bromothiophen-2-yl)propan-2-one

1-(2-bromophenyl)-3-(3-bromothiophen-2-yl)propan-2-one (PubChem CID 62828798) has the molecular formula C13H10Br2OS and a molecular weight of 374.10 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(3-bromothiophen-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(3-bromothiophen-2-yl)propan-2-one
PubChem CID62828798
Molecular FormulaC13H10Br2OS
Molecular Weight374.10 g/mol
Exact Mass371.88
IUPAC Name1-(2-bromophenyl)-3-(3-bromothiophen-2-yl)propan-2-one
SMILESO=C(Cc1ccccc1Br)Cc1sccc1Br
InChIInChI=1S/C13H10Br2OS/c14-11-4-2-1-3-9(11)7-10(16)8-13-12(15)5-6-17-13/h1-6H,7-8H2
InChIKeyJUCVKIFYZYOYHP-UHFFFAOYSA-N
XLogP4.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.10
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(3-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-one
CID 79954901
2-(2-bromophenyl)acetyl bromide
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1-(3-bromothiophen-2-yl)-3,3-dimethylbutan-2-one
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1-(azetidin-3-yl)-3-(3-bromothiophen-2-yl)propan-2-one
CID 116582373
1-(3-bromo-2-methylphenyl)-2-(3-bromothiophen-2-yl)ethanone
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2-(3-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(3-bromothiophen-2-yl)propan-2-one?
The IUPAC name of 1-(2-bromophenyl)-3-(3-bromothiophen-2-yl)propan-2-one (CID 62828798) is 1-(2-bromophenyl)-3-(3-bromothiophen-2-yl)propan-2-one.
What is the SMILES notation for 1-(2-bromophenyl)-3-(3-bromothiophen-2-yl)propan-2-one?
The canonical SMILES for 1-(2-bromophenyl)-3-(3-bromothiophen-2-yl)propan-2-one is O=C(Cc1ccccc1Br)Cc1sccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(3-bromothiophen-2-yl)propan-2-one?
The InChIKey is JUCVKIFYZYOYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2OS/c14-11-4-2-1-3-9(11)7-10(16)8-13-12(15)5-6-17-13/h1-6H,7-8H2.
What are the key properties of 1-(2-bromophenyl)-3-(3-bromothiophen-2-yl)propan-2-one?
1-(2-bromophenyl)-3-(3-bromothiophen-2-yl)propan-2-one has a molecular weight of 374.10 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(3-bromothiophen-2-yl)propan-2-one is sourced from PubChem (CID 62828798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).