3-(4-ethoxy-3-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol

C16H20O3S — CID 82185525

IUPAC3-(4-ethoxy-3-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
SMILESCCOc1ccc(CCC(O)c2cccs2)cc1OC
InChIInChI=1S/C16H20O3S/c1-3-19-14-9-7-12(11-15(14)18-2)6-8-13(17)16-5-4-10-20-16/h4-5,7,9-11,13,17H,3,6,8H2,1-2H3
InChIKeyABFJYIGQENDYDW-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.82
Rot. Bonds7

About 3-(4-ethoxy-3-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol

3-(4-ethoxy-3-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol (PubChem CID 82185525) has the molecular formula C16H20O3S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-(4-ethoxy-3-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-(4-ethoxy-3-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
PubChem CID82185525
Molecular FormulaC16H20O3S
Molecular Weight292.40 g/mol
Exact Mass292.11
IUPAC Name3-(4-ethoxy-3-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
SMILESCCOc1ccc(CCC(O)c2cccs2)cc1OC
InChIInChI=1S/C16H20O3S/c1-3-19-14-9-7-12(11-15(14)18-2)6-8-13(17)16-5-4-10-20-16/h4-5,7,9-11,13,17H,3,6,8H2,1-2H3
InChIKeyABFJYIGQENDYDW-UHFFFAOYSA-N
XLogP3.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethoxy-4-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol
CID 82185500
(2R)-4-(4-ethoxy-3-methoxyphenyl)butan-2-ol
CID 94920372
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61057204
3-(3-ethoxy-4-methoxyphenyl)-1-(4-methylphenyl)propan-1-ol
CID 82185656
3-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 82185290
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 123864348
2-(3,4-diethoxyphenyl)-1-thiophen-2-ylethanamine
CID 21157649
3-(3,4-diethoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 82185318
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 61058131
3-(4-butoxy-3-ethoxyphenyl)-1-phenylpropan-1-ol
CID 82185179
2-[1-bromo-2-(3,4-dimethoxyphenyl)ethyl]thiophene
CID 61097509
4-[3-[(4-ethoxy-3-methoxyphenyl)methylamino]butyl]phenol
CID 119122211

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol (CID 82185525) is 3-(4-ethoxy-3-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-(4-ethoxy-3-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-(4-ethoxy-3-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol is CCOc1ccc(CCC(O)c2cccs2)cc1OC.
What is the InChIKey of 3-(4-ethoxy-3-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol?
The InChIKey is ABFJYIGQENDYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3S/c1-3-19-14-9-7-12(11-15(14)18-2)6-8-13(17)16-5-4-10-20-16/h4-5,7,9-11,13,17H,3,6,8H2,1-2H3.
What are the key properties of 3-(4-ethoxy-3-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol?
3-(4-ethoxy-3-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol has a molecular weight of 292.40 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-3-methoxyphenyl)-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 82185525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).