6-ethyl-1-benzothiophene-5,7-diol

C10H10O2S — CID 131098438

IUPAC6-ethyl-1-benzothiophene-5,7-diol
SMILESCCc1c(O)cc2ccsc2c1O
InChIInChI=1S/C10H10O2S/c1-2-7-8(11)5-6-3-4-13-10(6)9(7)12/h3-5,11-12H,2H2,1H3
InChIKeyWTRILVWLLBJQBT-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.87
Rot. Bonds1

About 6-ethyl-1-benzothiophene-5,7-diol

6-ethyl-1-benzothiophene-5,7-diol (PubChem CID 131098438) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is 6-ethyl-1-benzothiophene-5,7-diol.

Molecular Properties

Compound Name6-ethyl-1-benzothiophene-5,7-diol
PubChem CID131098438
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Name6-ethyl-1-benzothiophene-5,7-diol
SMILESCCc1c(O)cc2ccsc2c1O
InChIInChI=1S/C10H10O2S/c1-2-7-8(11)5-6-3-4-13-10(6)9(7)12/h3-5,11-12H,2H2,1H3
InChIKeyWTRILVWLLBJQBT-UHFFFAOYSA-N
XLogP2.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(chloromethyl)-5-methoxy-1-benzothiophen-7-ol
CID 131195864
6-(bromomethyl)-5-fluoro-1-benzothiophen-7-ol
CID 130878622
6-(bromomethyl)-5-sulfanyl-1-benzothiophen-7-ol
CID 131031347
7-bromo-5-ethyl-1-benzothiophen-6-ol
CID 130955960
(5-bromo-7-ethyl-1-benzothiophen-6-yl)methanol
CID 130898537
5,7-dichloro-6-ethyl-1-benzothiophene
CID 130969196
5,7-dihydroxy-1-benzothiophene-6-carbonitrile
CID 131091563
1-benzothiophene-6,7-diol
CID 57172038
6-bromo-5-chloro-7-ethyl-1-benzothiophene
CID 130821097
5-chloro-6-ethyl-7-fluoro-1-benzothiophene
CID 130805773
7-bromo-5-chloro-6-ethyl-1-benzothiophene
CID 130821099
6-ethyl-5-methyl-1-benzothiophene-7-carbaldehyde
CID 130961943

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-benzothiophene-5,7-diol?
The IUPAC name of 6-ethyl-1-benzothiophene-5,7-diol (CID 131098438) is 6-ethyl-1-benzothiophene-5,7-diol.
What is the SMILES notation for 6-ethyl-1-benzothiophene-5,7-diol?
The canonical SMILES for 6-ethyl-1-benzothiophene-5,7-diol is CCc1c(O)cc2ccsc2c1O.
What is the InChIKey of 6-ethyl-1-benzothiophene-5,7-diol?
The InChIKey is WTRILVWLLBJQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S/c1-2-7-8(11)5-6-3-4-13-10(6)9(7)12/h3-5,11-12H,2H2,1H3.
What are the key properties of 6-ethyl-1-benzothiophene-5,7-diol?
6-ethyl-1-benzothiophene-5,7-diol has a molecular weight of 194.25 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-benzothiophene-5,7-diol is sourced from PubChem (CID 131098438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).