1-(2,3-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanone

C16H18O3S — CID 105089222

IUPAC1-(2,3-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(CC(=O)c2cccc(OC)c2OC)s1
InChIInChI=1S/C16H18O3S/c1-4-11-8-9-12(20-11)10-14(17)13-6-5-7-15(18-2)16(13)19-3/h5-9H,4,10H2,1-3H3
InChIKeyYGKXGKRIZKWXQD-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.75
Rot. Bonds6

About 1-(2,3-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanone

1-(2,3-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanone (PubChem CID 105089222) has the molecular formula C16H18O3S and a molecular weight of 290.38 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanone
PubChem CID105089222
Molecular FormulaC16H18O3S
Molecular Weight290.38 g/mol
Exact Mass290.10
IUPAC Name1-(2,3-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(CC(=O)c2cccc(OC)c2OC)s1
InChIInChI=1S/C16H18O3S/c1-4-11-8-9-12(20-11)10-14(17)13-6-5-7-15(18-2)16(13)19-3/h5-9H,4,10H2,1-3H3
InChIKeyYGKXGKRIZKWXQD-UHFFFAOYSA-N
XLogP3.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)ethanone
CID 61079926
2-(2,6-dimethoxyphenoxy)-1-(5-ethylthiophen-2-yl)ethanone
CID 43799632
2-(2,3-dichlorophenyl)-1-(2,3-dimethoxyphenyl)ethanone
CID 107311518
2-(3,5-difluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone
CID 105412160
1-(2,3-dimethoxyphenyl)-4-methoxybutan-1-one
CID 105135502
2-(2-bromo-4-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanone
CID 105089542
1-(2,3-dimethoxyphenyl)-3-methylsulfonylpropan-1-one
CID 114983891
2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone
CID 14284964
2,3-dimethoxybenzamide;hydrate
CID 141005510
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
1-(2,3-dimethoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 105123051

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanone?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanone (CID 105089222) is 1-(2,3-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanone is CCc1ccc(CC(=O)c2cccc(OC)c2OC)s1.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanone?
The InChIKey is YGKXGKRIZKWXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3S/c1-4-11-8-9-12(20-11)10-14(17)13-6-5-7-15(18-2)16(13)19-3/h5-9H,4,10H2,1-3H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanone?
1-(2,3-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanone has a molecular weight of 290.38 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-2-(5-ethylthiophen-2-yl)ethanone is sourced from PubChem (CID 105089222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).