4-ethyl-6-(hydroxymethyl)-1-benzothiophen-5-ol

C11H12O2S — CID 131196602

IUPAC4-ethyl-6-(hydroxymethyl)-1-benzothiophen-5-ol
SMILESCCc1c(O)c(CO)cc2sccc12
InChIInChI=1S/C11H12O2S/c1-2-8-9-3-4-14-10(9)5-7(6-12)11(8)13/h3-5,12-13H,2,6H2,1H3
InChIKeyJWHVCDVAZYFHGM-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.66
Rot. Bonds2

About 4-ethyl-6-(hydroxymethyl)-1-benzothiophen-5-ol

4-ethyl-6-(hydroxymethyl)-1-benzothiophen-5-ol (PubChem CID 131196602) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is 4-ethyl-6-(hydroxymethyl)-1-benzothiophen-5-ol.

Molecular Properties

Compound Name4-ethyl-6-(hydroxymethyl)-1-benzothiophen-5-ol
PubChem CID131196602
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name4-ethyl-6-(hydroxymethyl)-1-benzothiophen-5-ol
SMILESCCc1c(O)c(CO)cc2sccc12
InChIInChI=1S/C11H12O2S/c1-2-8-9-3-4-14-10(9)5-7(6-12)11(8)13/h3-5,12-13H,2,6H2,1H3
InChIKeyJWHVCDVAZYFHGM-UHFFFAOYSA-N
XLogP2.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-5-ethyl-1-benzothiophen-6-yl)methanol
CID 130971765
(5-ethyl-6-sulfanyl-1-benzothiophen-4-yl)methanol
CID 131001484
5-ethyl-6-sulfanyl-1-benzothiophen-4-ol
CID 131014676
(5-bromo-4-ethyl-1-benzothiophen-7-yl)methanol
CID 131146100
5-(hydroxymethyl)-1-benzothiophene-4,6-diol
CID 130969866
(7-ethyl-6-methyl-1-benzothiophen-4-yl)methanol
CID 131002417
(5-iodo-6-methyl-1-benzothiophen-4-yl)methanol
CID 130827054
4-(hydroxymethyl)-5-sulfanyl-1-benzothiophen-6-ol
CID 131057551
[4-amino-5-(chloromethyl)-1-benzothiophen-6-yl]methanol
CID 130803320
[5-bromo-6-(chloromethyl)-1-benzothiophen-4-yl]methanol
CID 131145040
6-(bromomethyl)-5-ethyl-4-iodo-1-benzothiophene
CID 130955965
(5-methylsulfanyl-4-sulfanyl-1-benzothiophen-6-yl)methanol
CID 131219140

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(hydroxymethyl)-1-benzothiophen-5-ol?
The IUPAC name of 4-ethyl-6-(hydroxymethyl)-1-benzothiophen-5-ol (CID 131196602) is 4-ethyl-6-(hydroxymethyl)-1-benzothiophen-5-ol.
What is the SMILES notation for 4-ethyl-6-(hydroxymethyl)-1-benzothiophen-5-ol?
The canonical SMILES for 4-ethyl-6-(hydroxymethyl)-1-benzothiophen-5-ol is CCc1c(O)c(CO)cc2sccc12.
What is the InChIKey of 4-ethyl-6-(hydroxymethyl)-1-benzothiophen-5-ol?
The InChIKey is JWHVCDVAZYFHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S/c1-2-8-9-3-4-14-10(9)5-7(6-12)11(8)13/h3-5,12-13H,2,6H2,1H3.
What are the key properties of 4-ethyl-6-(hydroxymethyl)-1-benzothiophen-5-ol?
4-ethyl-6-(hydroxymethyl)-1-benzothiophen-5-ol has a molecular weight of 208.28 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(hydroxymethyl)-1-benzothiophen-5-ol is sourced from PubChem (CID 131196602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).