2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone

C15H12O2S2 — CID 80745674

IUPAC2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
SMILESCOc1cccc(CC(=O)c2cc3sccc3s2)c1
InChIInChI=1S/C15H12O2S2/c1-17-11-4-2-3-10(7-11)8-12(16)14-9-15-13(19-14)5-6-18-15/h2-7,9H,8H2,1H3
InChIKeyDHZWADKXFCQVOD-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.40
Rot. Bonds4

About 2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone

2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone (PubChem CID 80745674) has the molecular formula C15H12O2S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
PubChem CID80745674
Molecular FormulaC15H12O2S2
Molecular Weight288.39 g/mol
Exact Mass288.03
IUPAC Name2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
SMILESCOc1cccc(CC(=O)c2cc3sccc3s2)c1
InChIInChI=1S/C15H12O2S2/c1-17-11-4-2-3-10(7-11)8-12(16)14-9-15-13(19-14)5-6-18-15/h2-7,9H,8H2,1H3
InChIKeyDHZWADKXFCQVOD-UHFFFAOYSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 81122443
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-methoxyphenyl)ethanone
CID 61077516
1-(3,5-dimethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanone
CID 81156989
1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 80738432
2-amino-3,6-dimethyl-6-[3-(2-oxo-2-thieno[3,2-b]thiophen-5-ylethyl)phenyl]-5H-pyrimidin-4-one
CID 58449125
2-(3-methoxyphenyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 105348903
1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 121242102
methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]thiophene-2-carboxylate
CID 27805316
1-(2-fluoro-4-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43561129
1-(2-bromo-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 61079528
2-(3-methoxyphenyl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 61078244
1-(4-methoxythiophen-2-yl)-2-phenylethanone
CID 81123035

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone?
The IUPAC name of 2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone (CID 80745674) is 2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone?
The canonical SMILES for 2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone is COc1cccc(CC(=O)c2cc3sccc3s2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone?
The InChIKey is DHZWADKXFCQVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2S2/c1-17-11-4-2-3-10(7-11)8-12(16)14-9-15-13(19-14)5-6-18-15/h2-7,9H,8H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone?
2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone has a molecular weight of 288.39 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone is sourced from PubChem (CID 80745674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).