2-(3,4-dimethoxyphenyl)-1-(2,5-dimethylthiophen-3-yl)ethanol

C16H20O3S — CID 61088345

IUPAC2-(3,4-dimethoxyphenyl)-1-(2,5-dimethylthiophen-3-yl)ethanol
SMILESCOc1ccc(CC(O)c2cc(C)sc2C)cc1OC
InChIInChI=1S/C16H20O3S/c1-10-7-13(11(2)20-10)14(17)8-12-5-6-15(18-3)16(9-12)19-4/h5-7,9,14,17H,8H2,1-4H3
InChIKeyPVDSPEPJCRQZBM-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.66
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-1-(2,5-dimethylthiophen-3-yl)ethanol

2-(3,4-dimethoxyphenyl)-1-(2,5-dimethylthiophen-3-yl)ethanol (PubChem CID 61088345) has the molecular formula C16H20O3S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-(2,5-dimethylthiophen-3-yl)ethanol.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-(2,5-dimethylthiophen-3-yl)ethanol
PubChem CID61088345
Molecular FormulaC16H20O3S
Molecular Weight292.40 g/mol
Exact Mass292.11
IUPAC Name2-(3,4-dimethoxyphenyl)-1-(2,5-dimethylthiophen-3-yl)ethanol
SMILESCOc1ccc(CC(O)c2cc(C)sc2C)cc1OC
InChIInChI=1S/C16H20O3S/c1-10-7-13(11(2)20-10)14(17)8-12-5-6-15(18-3)16(9-12)19-4/h5-7,9,14,17H,8H2,1-4H3
InChIKeyPVDSPEPJCRQZBM-UHFFFAOYSA-N
XLogP3.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)-2-(2-methoxyphenyl)ethanol
CID 61087046
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
1-(3-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanol
CID 106645022
(2R)-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid
CID 14163336
1-(3,4-dimethoxyphenyl)-3-methylpentan-2-ol
CID 63018781
(3R)-4-(3,4-dimethoxyphenyl)-3-hydroxybutan-2-one
CID 130440860
4-[(2R,3S)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
CID 11725068
4-(3,4-dimethoxyphenyl)-3-hydroxybutan-2-one
CID 11276143
1-(3,4-dimethoxyphenyl)-4,5,5-trimethylhexan-2-ol
CID 63834551
3-[(3,4-dimethoxyphenyl)methyl]pentan-2-ol
CID 79422765
3-chloro-4-(3,4-dimethoxyphenyl)butan-2-one
CID 82185003
3-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,5-dimethylthiophene
CID 63440545

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(2,5-dimethylthiophen-3-yl)ethanol?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(2,5-dimethylthiophen-3-yl)ethanol (CID 61088345) is 2-(3,4-dimethoxyphenyl)-1-(2,5-dimethylthiophen-3-yl)ethanol.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-(2,5-dimethylthiophen-3-yl)ethanol?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-(2,5-dimethylthiophen-3-yl)ethanol is COc1ccc(CC(O)c2cc(C)sc2C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-(2,5-dimethylthiophen-3-yl)ethanol?
The InChIKey is PVDSPEPJCRQZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3S/c1-10-7-13(11(2)20-10)14(17)8-12-5-6-15(18-3)16(9-12)19-4/h5-7,9,14,17H,8H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-(2,5-dimethylthiophen-3-yl)ethanol?
2-(3,4-dimethoxyphenyl)-1-(2,5-dimethylthiophen-3-yl)ethanol has a molecular weight of 292.40 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-(2,5-dimethylthiophen-3-yl)ethanol is sourced from PubChem (CID 61088345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).