1-(4-bromo-5-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanone

C14H12BrClO3S — CID 102826940

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2cc(Br)c(Cl)s2)cc1OC
InChIInChI=1S/C14H12BrClO3S/c1-18-11-4-3-8(6-12(11)19-2)5-10(17)13-7-9(15)14(16)20-13/h3-4,6-7H,5H2,1-2H3
InChIKeySMFRHCQMTRTTIU-UHFFFAOYSA-N
MW375.67 g/mol
LogP4.61
Rot. Bonds5

About 1-(4-bromo-5-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanone

1-(4-bromo-5-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanone (PubChem CID 102826940) has the molecular formula C14H12BrClO3S and a molecular weight of 375.67 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanone
PubChem CID102826940
Molecular FormulaC14H12BrClO3S
Molecular Weight375.67 g/mol
Exact Mass373.94
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2cc(Br)c(Cl)s2)cc1OC
InChIInChI=1S/C14H12BrClO3S/c1-18-11-4-3-8(6-12(11)19-2)5-10(17)13-7-9(15)14(16)20-13/h3-4,6-7H,5H2,1-2H3
InChIKeySMFRHCQMTRTTIU-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

Analyze 1-(4-bromo-5-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dichlorothiophen-3-yl)-2-(3,4-dimethoxyphenyl)ethanone
CID 43344752
1-(3-bromo-5-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethanone
CID 107956974
1-(4-bromo-5-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanone
CID 102826685
(2-bromo-4-chlorophenyl) 2-(3,4-dimethoxyphenyl)acetate
CID 26213000
2-(3-bromo-4-methoxyphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone
CID 114964713
1-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one
CID 60864985
2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 114964675
2-(3,4-dimethoxyphenyl)-1-(5-iodothiophen-3-yl)ethanone
CID 79693880
2-(3,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)ethanone
CID 60919062
2-(3-bromo-4-methoxyphenyl)-1-(2,5-dichlorophenyl)ethanone
CID 114964656
2-(3-bromo-4-methoxyphenyl)-1-(3,4-dichlorophenyl)ethanone
CID 81491659
1-(2-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanone
CID 61054868

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanone?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanone (CID 102826940) is 1-(4-bromo-5-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanone is COc1ccc(CC(=O)c2cc(Br)c(Cl)s2)cc1OC.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanone?
The InChIKey is SMFRHCQMTRTTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClO3S/c1-18-11-4-3-8(6-12(11)19-2)5-10(17)13-7-9(15)14(16)20-13/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanone?
1-(4-bromo-5-chlorothiophen-2-yl)-2-(3,4-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 1-(4-bromo-5-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 102826940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).