1-thiophen-3-ylethanol

C6H8OS — CID 12744375

IUPAC1-thiophen-3-ylethanol
SMILESCC(O)c1ccsc1
InChIInChI=1S/C6H8OS/c1-5(7)6-2-3-8-4-6/h2-5,7H,1H3
InChIKeyAJKKZEHIYREOFF-UHFFFAOYSA-N
MW128.20 g/mol
LogP1.80
Rot. Bonds1

About 1-thiophen-3-ylethanol

1-thiophen-3-ylethanol (PubChem CID 12744375) has the molecular formula C6H8OS and a molecular weight of 128.20 g/mol. Its IUPAC name is 1-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-thiophen-3-ylethanol
PubChem CID12744375
Molecular FormulaC6H8OS
Molecular Weight128.20 g/mol
Exact Mass128.03
IUPAC Name1-thiophen-3-ylethanol
SMILESCC(O)c1ccsc1
InChIInChI=1S/C6H8OS/c1-5(7)6-2-3-8-4-6/h2-5,7H,1H3
InChIKeyAJKKZEHIYREOFF-UHFFFAOYSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-thiophen-3-ylethanol
CID 11297979
1-thiophen-3-ylethanol;1,1,1-trifluoro-3-thiophen-3-ylbutan-2-ol
CID 158976619
1-chloro-1-thiophen-3-ylpropan-2-ol
CID 174465354
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
2-methyl-1-thiophen-3-ylbutan-1-ol
CID 65099391
2,4-di(thiophen-3-yl)pentan-3-one
CID 67673002
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
5-methyl-1-thiophen-3-ylhexan-1-ol
CID 83158063
(3R)-3-thiophen-3-ylbutan-2-one
CID 90139651
(S)-(2-propan-2-ylphenyl)-thiophen-3-ylmethanol
CID 97293180
1-thiophen-3-ylbut-2-yn-1-ol
CID 130174336
(2,2,3,3-tetramethylcyclopropyl)-thiophen-3-ylmethanol
CID 115805572

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-ylethanol?
The IUPAC name of 1-thiophen-3-ylethanol (CID 12744375) is 1-thiophen-3-ylethanol.
What is the SMILES notation for 1-thiophen-3-ylethanol?
The canonical SMILES for 1-thiophen-3-ylethanol is CC(O)c1ccsc1.
What is the InChIKey of 1-thiophen-3-ylethanol?
The InChIKey is AJKKZEHIYREOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8OS/c1-5(7)6-2-3-8-4-6/h2-5,7H,1H3.
What are the key properties of 1-thiophen-3-ylethanol?
1-thiophen-3-ylethanol has a molecular weight of 128.20 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-ylethanol is sourced from PubChem (CID 12744375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).