1-(2,6-dimethoxy-3-thiophen-2-ylphenyl)-2-(2-methoxyphenyl)ethanone

C21H20O4S — CID 58615706

IUPAC1-(2,6-dimethoxy-3-thiophen-2-ylphenyl)-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)c1c(OC)ccc(-c2cccs2)c1OC
InChIInChI=1S/C21H20O4S/c1-23-17-8-5-4-7-14(17)13-16(22)20-18(24-2)11-10-15(21(20)25-3)19-9-6-12-26-19/h4-12H,13H2,1-3H3
InChIKeyXBKLUNRWVABRAO-UHFFFAOYSA-N
MW368.45 g/mol
LogP4.87
Rot. Bonds7

About 1-(2,6-dimethoxy-3-thiophen-2-ylphenyl)-2-(2-methoxyphenyl)ethanone

1-(2,6-dimethoxy-3-thiophen-2-ylphenyl)-2-(2-methoxyphenyl)ethanone (PubChem CID 58615706) has the molecular formula C21H20O4S and a molecular weight of 368.45 g/mol. Its IUPAC name is 1-(2,6-dimethoxy-3-thiophen-2-ylphenyl)-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethoxy-3-thiophen-2-ylphenyl)-2-(2-methoxyphenyl)ethanone
PubChem CID58615706
Molecular FormulaC21H20O4S
Molecular Weight368.45 g/mol
Exact Mass368.11
IUPAC Name1-(2,6-dimethoxy-3-thiophen-2-ylphenyl)-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)c1c(OC)ccc(-c2cccs2)c1OC
InChIInChI=1S/C21H20O4S/c1-23-17-8-5-4-7-14(17)13-16(22)20-18(24-2)11-10-15(21(20)25-3)19-9-6-12-26-19/h4-12H,13H2,1-3H3
InChIKeyXBKLUNRWVABRAO-UHFFFAOYSA-N
XLogP4.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxy-3-thiophen-2-ylphenyl)-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-(2,6-dimethoxy-3-thiophen-2-ylphenyl)-2-(2-methoxyphenyl)ethanone (CID 58615706) is 1-(2,6-dimethoxy-3-thiophen-2-ylphenyl)-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2,6-dimethoxy-3-thiophen-2-ylphenyl)-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2,6-dimethoxy-3-thiophen-2-ylphenyl)-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)c1c(OC)ccc(-c2cccs2)c1OC.
What is the InChIKey of 1-(2,6-dimethoxy-3-thiophen-2-ylphenyl)-2-(2-methoxyphenyl)ethanone?
The InChIKey is XBKLUNRWVABRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O4S/c1-23-17-8-5-4-7-14(17)13-16(22)20-18(24-2)11-10-15(21(20)25-3)19-9-6-12-26-19/h4-12H,13H2,1-3H3.
What are the key properties of 1-(2,6-dimethoxy-3-thiophen-2-ylphenyl)-2-(2-methoxyphenyl)ethanone?
1-(2,6-dimethoxy-3-thiophen-2-ylphenyl)-2-(2-methoxyphenyl)ethanone has a molecular weight of 368.45 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxy-3-thiophen-2-ylphenyl)-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 58615706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).