1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)propan-2-one

C14H13BrO2S — CID 62620804

IUPAC1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)propan-2-one
SMILESCOc1ccccc1CC(=O)Cc1cc(Br)cs1
InChIInChI=1S/C14H13BrO2S/c1-17-14-5-3-2-4-10(14)6-12(16)8-13-7-11(15)9-18-13/h2-5,7,9H,6,8H2,1H3
InChIKeyIIJYQJLWDUCOLI-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.87
Rot. Bonds5

About 1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)propan-2-one

1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)propan-2-one (PubChem CID 62620804) has the molecular formula C14H13BrO2S and a molecular weight of 325.23 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)propan-2-one
PubChem CID62620804
Molecular FormulaC14H13BrO2S
Molecular Weight325.23 g/mol
Exact Mass323.98
IUPAC Name1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)propan-2-one
SMILESCOc1ccccc1CC(=O)Cc1cc(Br)cs1
InChIInChI=1S/C14H13BrO2S/c1-17-14-5-3-2-4-10(14)6-12(16)8-13-7-11(15)9-18-13/h2-5,7,9H,6,8H2,1H3
InChIKeyIIJYQJLWDUCOLI-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-2-(2-methoxyphenyl)acetamide
CID 47250123
1-(4-bromothiophen-2-yl)-3-naphthalen-1-ylpropan-2-one
CID 105092415
1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-one
CID 62622471
1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)-N-methylpropan-2-amine
CID 62601023
1-(2-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 62797036
1-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propan-2-one
CID 62621721
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62620437
1-(4-bromothiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 104793438
1-(2,4-difluorophenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62196384
methyl 2-[2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]acetate
CID 115462733
1-(3-bromophenyl)sulfanyl-3-(2-methoxyphenyl)propan-2-one
CID 66142964
1-(4-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 43160435

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)propan-2-one?
The IUPAC name of 1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)propan-2-one (CID 62620804) is 1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)propan-2-one is COc1ccccc1CC(=O)Cc1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)propan-2-one?
The InChIKey is IIJYQJLWDUCOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2S/c1-17-14-5-3-2-4-10(14)6-12(16)8-13-7-11(15)9-18-13/h2-5,7,9H,6,8H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)propan-2-one?
1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)propan-2-one has a molecular weight of 325.23 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-3-(2-methoxyphenyl)propan-2-one is sourced from PubChem (CID 62620804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).