1-(2-methoxyphenyl)-1-thiophen-3-ylethanol

C13H14O2S — CID 65099719

IUPAC1-(2-methoxyphenyl)-1-thiophen-3-ylethanol
SMILESCOc1ccccc1C(C)(O)c1ccsc1
InChIInChI=1S/C13H14O2S/c1-13(14,10-7-8-16-9-10)11-5-3-4-6-12(11)15-2/h3-9,14H,1-2H3
InChIKeyWNWRVHDJCVUULW-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.01
Rot. Bonds3

About 1-(2-methoxyphenyl)-1-thiophen-3-ylethanol

1-(2-methoxyphenyl)-1-thiophen-3-ylethanol (PubChem CID 65099719) has the molecular formula C13H14O2S and a molecular weight of 234.32 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-1-thiophen-3-ylethanol
PubChem CID65099719
Molecular FormulaC13H14O2S
Molecular Weight234.32 g/mol
Exact Mass234.07
IUPAC Name1-(2-methoxyphenyl)-1-thiophen-3-ylethanol
SMILESCOc1ccccc1C(C)(O)c1ccsc1
InChIInChI=1S/C13H14O2S/c1-13(14,10-7-8-16-9-10)11-5-3-4-6-12(11)15-2/h3-9,14H,1-2H3
InChIKeyWNWRVHDJCVUULW-UHFFFAOYSA-N
XLogP3.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 62549935
1-(4-fluorophenyl)-1-(2-methoxyphenyl)ethanol
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CID 62788494
1-(2,6-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 116809641
2-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 591994
3-(2-methoxyphenyl)-2,2,4,4-tetramethylpentan-3-ol
CID 606344
(3R)-3-hydroxy-3-(2-methoxyphenyl)butan-2-one
CID 102236965
2-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)propan-2-amine
CID 56825268
1-(4-bromo-1,3-thiazol-2-yl)-1-(2-methoxyphenyl)ethanol
CID 114684136
2-[1-hydroxy-1-(2-methoxyphenyl)ethyl]thiophene-3-carboxylic acid
CID 107431992
1-(2-methoxyphenyl)-1-quinolin-3-ylethanol
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CID 93303591

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-1-thiophen-3-ylethanol?
The IUPAC name of 1-(2-methoxyphenyl)-1-thiophen-3-ylethanol (CID 65099719) is 1-(2-methoxyphenyl)-1-thiophen-3-ylethanol.
What is the SMILES notation for 1-(2-methoxyphenyl)-1-thiophen-3-ylethanol?
The canonical SMILES for 1-(2-methoxyphenyl)-1-thiophen-3-ylethanol is COc1ccccc1C(C)(O)c1ccsc1.
What is the InChIKey of 1-(2-methoxyphenyl)-1-thiophen-3-ylethanol?
The InChIKey is WNWRVHDJCVUULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2S/c1-13(14,10-7-8-16-9-10)11-5-3-4-6-12(11)15-2/h3-9,14H,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-1-thiophen-3-ylethanol?
1-(2-methoxyphenyl)-1-thiophen-3-ylethanol has a molecular weight of 234.32 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-1-thiophen-3-ylethanol is sourced from PubChem (CID 65099719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).