2-(5-bromothiophen-2-yl)-1-(2,4-dimethoxyphenyl)ethanone

C14H13BrO3S — CID 114967385

IUPAC2-(5-bromothiophen-2-yl)-1-(2,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccc(Br)s2)c(OC)c1
InChIInChI=1S/C14H13BrO3S/c1-17-9-3-5-11(13(7-9)18-2)12(16)8-10-4-6-14(15)19-10/h3-7H,8H2,1-2H3
InChIKeyKFPPVNBPYOCWMJ-UHFFFAOYSA-N
MW341.23 g/mol
LogP3.95
Rot. Bonds5

About 2-(5-bromothiophen-2-yl)-1-(2,4-dimethoxyphenyl)ethanone

2-(5-bromothiophen-2-yl)-1-(2,4-dimethoxyphenyl)ethanone (PubChem CID 114967385) has the molecular formula C14H13BrO3S and a molecular weight of 341.23 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(2,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(2,4-dimethoxyphenyl)ethanone
PubChem CID114967385
Molecular FormulaC14H13BrO3S
Molecular Weight341.23 g/mol
Exact Mass339.98
IUPAC Name2-(5-bromothiophen-2-yl)-1-(2,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccc(Br)s2)c(OC)c1
InChIInChI=1S/C14H13BrO3S/c1-17-9-3-5-11(13(7-9)18-2)12(16)8-10-4-6-14(15)19-10/h3-7H,8H2,1-2H3
InChIKeyKFPPVNBPYOCWMJ-UHFFFAOYSA-N
XLogP3.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 114968175
2-(2-bromo-4-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 114968000
2-(5-bromothiophen-2-yl)-1-(2-ethoxyphenyl)ethanone
CID 113330338
N-[(5-bromothiophen-2-yl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 60743938
2-(3-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 115786701
2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethanone
CID 107944363
1-(4-bromo-2-methoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 115369376
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
2-(5-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone
CID 62620241
1-(2,4-dimethoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 62799846
2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide
CID 115412848
1-(2,4-dimethoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62387371

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(2,4-dimethoxyphenyl)ethanone?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(2,4-dimethoxyphenyl)ethanone (CID 114967385) is 2-(5-bromothiophen-2-yl)-1-(2,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(2,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(2,4-dimethoxyphenyl)ethanone is COc1ccc(C(=O)Cc2ccc(Br)s2)c(OC)c1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(2,4-dimethoxyphenyl)ethanone?
The InChIKey is KFPPVNBPYOCWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO3S/c1-17-9-3-5-11(13(7-9)18-2)12(16)8-10-4-6-14(15)19-10/h3-7H,8H2,1-2H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(2,4-dimethoxyphenyl)ethanone?
2-(5-bromothiophen-2-yl)-1-(2,4-dimethoxyphenyl)ethanone has a molecular weight of 341.23 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(2,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 114967385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).