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

C14H12BrClOS — CID 102826790

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)c2cc(Br)c(Cl)s2)c1
InChIInChI=1S/C14H12BrClOS/c1-8-3-4-9(2)10(5-8)6-12(17)13-7-11(15)14(16)18-13/h3-5,7H,6H2,1-2H3
InChIKeyBJOMCTUAOLPVRY-UHFFFAOYSA-N
MW343.67 g/mol
LogP5.21
Rot. Bonds3

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

1-(4-bromo-5-chlorothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone (PubChem CID 102826790) has the molecular formula C14H12BrClOS and a molecular weight of 343.67 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone
PubChem CID102826790
Molecular FormulaC14H12BrClOS
Molecular Weight343.67 g/mol
Exact Mass341.95
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)c2cc(Br)c(Cl)s2)c1
InChIInChI=1S/C14H12BrClOS/c1-8-3-4-9(2)10(5-8)6-12(17)13-7-11(15)14(16)18-13/h3-5,7H,6H2,1-2H3
InChIKeyBJOMCTUAOLPVRY-UHFFFAOYSA-N
XLogP5.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.67
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-4-methylthiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone
CID 102762888
1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63492510
2-(2,5-dimethylphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 80745092
1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone
CID 115784134
1-(2,5-dibromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63491825
1-(5-bromo-4-chlorothiophen-2-yl)-2-(2-methylphenyl)ethanone
CID 80531701
2-(2,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 63527004
1-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 55224701
1-(4-bromo-5-chlorothiophen-2-yl)-2-(3,4-dimethoxyphenyl)ethanone
CID 102826940
1-(2,5-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 55195632
1-(2-bromo-4-fluorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63527175
1-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63490270

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone (CID 102826790) is 1-(4-bromo-5-chlorothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone is Cc1ccc(C)c(CC(=O)c2cc(Br)c(Cl)s2)c1.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone?
The InChIKey is BJOMCTUAOLPVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClOS/c1-8-3-4-9(2)10(5-8)6-12(17)13-7-11(15)14(16)18-13/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone?
1-(4-bromo-5-chlorothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone has a molecular weight of 343.67 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chlorothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone is sourced from PubChem (CID 102826790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).