2-(5-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone

C14H12BrClO3S — CID 62620241

IUPAC2-(5-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone
SMILESCOc1cc(C(=O)Cc2ccc(Br)s2)cc(Cl)c1OC
InChIInChI=1S/C14H12BrClO3S/c1-18-12-6-8(5-10(16)14(12)19-2)11(17)7-9-3-4-13(15)20-9/h3-6H,7H2,1-2H3
InChIKeyMHQDESNKVMLXNI-UHFFFAOYSA-N
MW375.67 g/mol
LogP4.61
Rot. Bonds5

About 2-(5-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone

2-(5-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone (PubChem CID 62620241) has the molecular formula C14H12BrClO3S and a molecular weight of 375.67 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone
PubChem CID62620241
Molecular FormulaC14H12BrClO3S
Molecular Weight375.67 g/mol
Exact Mass373.94
IUPAC Name2-(5-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone
SMILESCOc1cc(C(=O)Cc2ccc(Br)s2)cc(Cl)c1OC
InChIInChI=1S/C14H12BrClO3S/c1-18-12-6-8(5-10(16)14(12)19-2)11(17)7-9-3-4-13(15)20-9/h3-6H,7H2,1-2H3
InChIKeyMHQDESNKVMLXNI-UHFFFAOYSA-N
XLogP4.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.67
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromophenyl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone
CID 60955784
1-(3-bromo-5-chlorophenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 107944362
2-(5-bromothiophen-2-yl)-1-(3,4-diethoxyphenyl)ethanone
CID 114967422
2-(5-bromothiophen-2-yl)-1-(2,4-dimethoxyphenyl)ethanone
CID 114967385
2-(5-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethanone
CID 114967348
1-(3-chloro-4,5-dimethoxyphenyl)-2-propoxyethanone
CID 79567841
2-bromo-5-[[2-(bromomethyl)-4-chloro-6-methoxyphenoxy]methyl]thiophene
CID 104666392
1-(3-chloro-5-ethoxy-4-methoxyphenyl)propan-1-one
CID 83952614
1-(4-amino-3-methylphenyl)-2-(5-bromothiophen-2-yl)ethanone
CID 116553879
2-(5-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)ethanone
CID 107101557
1-(3-bromo-5-chloro-4-methoxyphenyl)-2-chloroethanone
CID 171002004
3-chloro-4,5-dimethoxy-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31838372

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone (CID 62620241) is 2-(5-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone is COc1cc(C(=O)Cc2ccc(Br)s2)cc(Cl)c1OC.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone?
The InChIKey is MHQDESNKVMLXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClO3S/c1-18-12-6-8(5-10(16)14(12)19-2)11(17)7-9-3-4-13(15)20-9/h3-6H,7H2,1-2H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone?
2-(5-bromothiophen-2-yl)-1-(3-chloro-4,5-dimethoxyphenyl)ethanone has a molecular weight of 375.67 g/mol, XLogP of 4.61, 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-(3-chloro-4,5-dimethoxyphenyl)ethanone is sourced from PubChem (CID 62620241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).