2-thiophen-3-yl-1-(2,4,6-trimethoxyphenyl)ethanol

C15H18O4S — CID 65151106

IUPAC2-thiophen-3-yl-1-(2,4,6-trimethoxyphenyl)ethanol
SMILESCOc1cc(OC)c(C(O)Cc2ccsc2)c(OC)c1
InChIInChI=1S/C15H18O4S/c1-17-11-7-13(18-2)15(14(8-11)19-3)12(16)6-10-4-5-20-9-10/h4-5,7-9,12,16H,6H2,1-3H3
InChIKeyBHCAETAFODJITL-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.05
Rot. Bonds6

About 2-thiophen-3-yl-1-(2,4,6-trimethoxyphenyl)ethanol

2-thiophen-3-yl-1-(2,4,6-trimethoxyphenyl)ethanol (PubChem CID 65151106) has the molecular formula C15H18O4S and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-thiophen-3-yl-1-(2,4,6-trimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-thiophen-3-yl-1-(2,4,6-trimethoxyphenyl)ethanol
PubChem CID65151106
Molecular FormulaC15H18O4S
Molecular Weight294.37 g/mol
Exact Mass294.09
IUPAC Name2-thiophen-3-yl-1-(2,4,6-trimethoxyphenyl)ethanol
SMILESCOc1cc(OC)c(C(O)Cc2ccsc2)c(OC)c1
InChIInChI=1S/C15H18O4S/c1-17-11-7-13(18-2)15(14(8-11)19-3)12(16)6-10-4-5-20-9-10/h4-5,7-9,12,16H,6H2,1-3H3
InChIKeyBHCAETAFODJITL-UHFFFAOYSA-N
XLogP3.05
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethanol
CID 55151381
1-(5-methoxy-3-pyridinyl)-2-thiophen-3-ylethanol
CID 105121291
1-(3,5-dimethoxyphenyl)-3-thiophen-3-ylpropan-1-ol
CID 65148145
3-[2-bromo-2-(2,5-dimethoxyphenyl)ethyl]thiophene
CID 63017599
N-[(2,4-dimethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61222636
4-(4-methoxyphenyl)-1-thiophen-3-ylbutan-2-ol
CID 63016896
(S)-thiophen-3-yl-(2,4,6-trimethoxyphenyl)methanamine;hydrochloride
CID 171201055
1-(2,6-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 63018245
2-[(3-methoxyphenyl)methyl]-3-thiophen-3-ylpropan-1-ol
CID 66060150
1-(3,5-dimethoxyphenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 61078732
1-(3,4-dimethoxyphenyl)-3-thiophen-3-ylpropan-2-amine
CID 55095413
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-thiophen-3-ylethanamine
CID 106682372

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-1-(2,4,6-trimethoxyphenyl)ethanol?
The IUPAC name of 2-thiophen-3-yl-1-(2,4,6-trimethoxyphenyl)ethanol (CID 65151106) is 2-thiophen-3-yl-1-(2,4,6-trimethoxyphenyl)ethanol.
What is the SMILES notation for 2-thiophen-3-yl-1-(2,4,6-trimethoxyphenyl)ethanol?
The canonical SMILES for 2-thiophen-3-yl-1-(2,4,6-trimethoxyphenyl)ethanol is COc1cc(OC)c(C(O)Cc2ccsc2)c(OC)c1.
What is the InChIKey of 2-thiophen-3-yl-1-(2,4,6-trimethoxyphenyl)ethanol?
The InChIKey is BHCAETAFODJITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4S/c1-17-11-7-13(18-2)15(14(8-11)19-3)12(16)6-10-4-5-20-9-10/h4-5,7-9,12,16H,6H2,1-3H3.
What are the key properties of 2-thiophen-3-yl-1-(2,4,6-trimethoxyphenyl)ethanol?
2-thiophen-3-yl-1-(2,4,6-trimethoxyphenyl)ethanol has a molecular weight of 294.37 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-1-(2,4,6-trimethoxyphenyl)ethanol is sourced from PubChem (CID 65151106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).