1-(3-chloro-4-methylthiophen-2-yl)-2-(4-ethylphenyl)ethanone

C15H15ClOS — CID 103407449

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-2-(4-ethylphenyl)ethanone
SMILESCCc1ccc(CC(=O)c2scc(C)c2Cl)cc1
InChIInChI=1S/C15H15ClOS/c1-3-11-4-6-12(7-5-11)8-13(17)15-14(16)10(2)9-18-15/h4-7,9H,3,8H2,1-2H3
InChIKeyMSJLEALJJDSOAA-UHFFFAOYSA-N
MW278.80 g/mol
LogP4.70
Rot. Bonds4

About 1-(3-chloro-4-methylthiophen-2-yl)-2-(4-ethylphenyl)ethanone

1-(3-chloro-4-methylthiophen-2-yl)-2-(4-ethylphenyl)ethanone (PubChem CID 103407449) has the molecular formula C15H15ClOS and a molecular weight of 278.80 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-2-(4-ethylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-2-(4-ethylphenyl)ethanone
PubChem CID103407449
Molecular FormulaC15H15ClOS
Molecular Weight278.80 g/mol
Exact Mass278.05
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-2-(4-ethylphenyl)ethanone
SMILESCCc1ccc(CC(=O)c2scc(C)c2Cl)cc1
InChIInChI=1S/C15H15ClOS/c1-3-11-4-6-12(7-5-11)8-13(17)15-14(16)10(2)9-18-15/h4-7,9H,3,8H2,1-2H3
InChIKeyMSJLEALJJDSOAA-UHFFFAOYSA-N
XLogP4.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.80
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanone
CID 103407561
1-(3-chloro-4-methylthiophen-2-yl)-2-(4-nitrophenyl)ethanone
CID 103402199
1-(3-chloro-4-methylthiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 103407809
2-bromo-1-(3-chloro-4-methylthiophen-2-yl)ethanone
CID 103407197
1-(3-chloro-4-methylthiophen-2-yl)-2-ethoxyethanone
CID 103407790
1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanone
CID 103407763
1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 103407837
2-(2-bromo-5-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanone
CID 103407677
1-(3-chloro-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 103407745
1-(3-chloro-4-methylthiophen-2-yl)hex-5-en-1-one
CID 103407697
2-(4-chlorophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanone
CID 81157445
2-(4-ethylphenyl)-1-(5-methylfuran-2-yl)ethanone
CID 114963390

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-(4-ethylphenyl)ethanone?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-(4-ethylphenyl)ethanone (CID 103407449) is 1-(3-chloro-4-methylthiophen-2-yl)-2-(4-ethylphenyl)ethanone.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-2-(4-ethylphenyl)ethanone?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-2-(4-ethylphenyl)ethanone is CCc1ccc(CC(=O)c2scc(C)c2Cl)cc1.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-2-(4-ethylphenyl)ethanone?
The InChIKey is MSJLEALJJDSOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClOS/c1-3-11-4-6-12(7-5-11)8-13(17)15-14(16)10(2)9-18-15/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-2-(4-ethylphenyl)ethanone?
1-(3-chloro-4-methylthiophen-2-yl)-2-(4-ethylphenyl)ethanone has a molecular weight of 278.80 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophen-2-yl)-2-(4-ethylphenyl)ethanone is sourced from PubChem (CID 103407449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).