2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)ethanone

C14H14O3S — CID 81122443

IUPAC2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)ethanone
SMILESCOc1cccc(CC(=O)c2sccc2OC)c1
InChIInChI=1S/C14H14O3S/c1-16-11-5-3-4-10(8-11)9-12(15)14-13(17-2)6-7-18-14/h3-8H,9H2,1-2H3
InChIKeyAEPYHZKOYVSGBH-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.19
Rot. Bonds5

About 2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)ethanone

2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)ethanone (PubChem CID 81122443) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)ethanone
PubChem CID81122443
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)ethanone
SMILESCOc1cccc(CC(=O)c2sccc2OC)c1
InChIInChI=1S/C14H14O3S/c1-16-11-5-3-4-10(8-11)9-12(15)14-13(17-2)6-7-18-14/h3-8H,9H2,1-2H3
InChIKeyAEPYHZKOYVSGBH-UHFFFAOYSA-N
XLogP3.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichlorophenyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 81122836
2-(4-tert-butylphenyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 114967861
2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 80745674
1-(3,5-dimethylthiophen-2-yl)-2-(3-methoxyphenyl)ethanone
CID 81156989
1-(2-amino-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 107469155
1-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)ethanone
CID 43379572
methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]thiophene-2-carboxylate
CID 27805316
1-(5-fluoro-2-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 43161531
3-(4-methoxyphenyl)-1-(3-methoxythiophen-2-yl)propan-1-one
CID 81118412
2-(3-methoxyphenyl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 110723395
1-(2-hydroxy-5-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 121242102
2-(3-methoxyphenyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 105348903

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)ethanone?
The IUPAC name of 2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)ethanone (CID 81122443) is 2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)ethanone.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)ethanone?
The canonical SMILES for 2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)ethanone is COc1cccc(CC(=O)c2sccc2OC)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)ethanone?
The InChIKey is AEPYHZKOYVSGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c1-16-11-5-3-4-10(8-11)9-12(15)14-13(17-2)6-7-18-14/h3-8H,9H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)ethanone?
2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)ethanone has a molecular weight of 262.33 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)ethanone is sourced from PubChem (CID 81122443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).