1-(5-chloro-4-methylthiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone

C15H15ClOS — CID 102762888

IUPAC1-(5-chloro-4-methylthiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)c2cc(C)c(Cl)s2)c1
InChIInChI=1S/C15H15ClOS/c1-9-4-5-10(2)12(6-9)8-13(17)14-7-11(3)15(16)18-14/h4-7H,8H2,1-3H3
InChIKeyZOAHSYLGEDBECA-UHFFFAOYSA-N
MW278.80 g/mol
LogP4.75
Rot. Bonds3

About 1-(5-chloro-4-methylthiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone

1-(5-chloro-4-methylthiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone (PubChem CID 102762888) has the molecular formula C15H15ClOS and a molecular weight of 278.80 g/mol. Its IUPAC name is 1-(5-chloro-4-methylthiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-4-methylthiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone
PubChem CID102762888
Molecular FormulaC15H15ClOS
Molecular Weight278.80 g/mol
Exact Mass278.05
IUPAC Name1-(5-chloro-4-methylthiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)c2cc(C)c(Cl)s2)c1
InChIInChI=1S/C15H15ClOS/c1-9-4-5-10(2)12(6-9)8-13(17)14-7-11(3)15(16)18-14/h4-7H,8H2,1-3H3
InChIKeyZOAHSYLGEDBECA-UHFFFAOYSA-N
XLogP4.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.80
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-5-chlorothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone
CID 102826790
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
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-(2,5-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 55195632
1-(2,5-dibromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63491825
1-(2,3-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 63527350
2-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)ethanone
CID 63411827
1-(5-bromo-4-chlorothiophen-2-yl)-2-(2-methylphenyl)ethanone
CID 80531701
1-(5-chloro-2-iodophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 114029871
2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)ethanone
CID 54958156

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone?
The IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone (CID 102762888) is 1-(5-chloro-4-methylthiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(5-chloro-4-methylthiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone?
The canonical SMILES for 1-(5-chloro-4-methylthiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone is Cc1ccc(C)c(CC(=O)c2cc(C)c(Cl)s2)c1.
What is the InChIKey of 1-(5-chloro-4-methylthiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone?
The InChIKey is ZOAHSYLGEDBECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClOS/c1-9-4-5-10(2)12(6-9)8-13(17)14-7-11(3)15(16)18-14/h4-7H,8H2,1-3H3.
What are the key properties of 1-(5-chloro-4-methylthiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone?
1-(5-chloro-4-methylthiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone has a molecular weight of 278.80 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-methylthiophen-2-yl)-2-(2,5-dimethylphenyl)ethanone is sourced from PubChem (CID 102762888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).