1-(3,5-dimethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanone

C15H16O2S — CID 81156989

IUPAC1-(3,5-dimethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)c2sc(C)cc2C)c1
InChIInChI=1S/C15H16O2S/c1-10-7-11(2)18-15(10)14(16)9-12-5-4-6-13(8-12)17-3/h4-8H,9H2,1-3H3
InChIKeySQHAZHQKBLTXDH-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.80
Rot. Bonds4

About 1-(3,5-dimethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanone

1-(3,5-dimethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanone (PubChem CID 81156989) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(3,5-dimethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanone
PubChem CID81156989
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name1-(3,5-dimethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)c2sc(C)cc2C)c1
InChIInChI=1S/C15H16O2S/c1-10-7-11(2)18-15(10)14(16)9-12-5-4-6-13(8-12)17-3/h4-8H,9H2,1-3H3
InChIKeySQHAZHQKBLTXDH-UHFFFAOYSA-N
XLogP3.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 81122443
2-(3-methoxyphenyl)-1-(3-methylfuran-2-yl)ethanone
CID 61079154
1-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 43379572
2-(3-methoxyphenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114725058
2-(4-chlorophenyl)-1-(3,5-dimethylthiophen-2-yl)ethanone
CID 81157445
1-(5-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 65308121
1-(4-bromo-2-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 61078247
2-(3-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanone
CID 114821159
1-(3-methoxyphenyl)-3-(2-methylphenyl)propan-2-one
CID 61263840
2-(3-methoxyphenyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 105348903
1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 121242102
1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 43337712

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanone?
The IUPAC name of 1-(3,5-dimethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanone (CID 81156989) is 1-(3,5-dimethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(3,5-dimethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanone?
The canonical SMILES for 1-(3,5-dimethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanone is COc1cccc(CC(=O)c2sc(C)cc2C)c1.
What is the InChIKey of 1-(3,5-dimethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanone?
The InChIKey is SQHAZHQKBLTXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c1-10-7-11(2)18-15(10)14(16)9-12-5-4-6-13(8-12)17-3/h4-8H,9H2,1-3H3.
What are the key properties of 1-(3,5-dimethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanone?
1-(3,5-dimethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanone has a molecular weight of 260.36 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 81156989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).