7-ethyl-1-benzothiophene-3,5-diol

C10H10O2S — CID 130785990

IUPAC7-ethyl-1-benzothiophene-3,5-diol
SMILESCCc1cc(O)cc2c(O)csc12
InChIInChI=1S/C10H10O2S/c1-2-6-3-7(11)4-8-9(12)5-13-10(6)8/h3-5,11-12H,2H2,1H3
InChIKeyPHFBDIFLMUNHOZ-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.87
Rot. Bonds1

About 7-ethyl-1-benzothiophene-3,5-diol

7-ethyl-1-benzothiophene-3,5-diol (PubChem CID 130785990) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is 7-ethyl-1-benzothiophene-3,5-diol.

Molecular Properties

Compound Name7-ethyl-1-benzothiophene-3,5-diol
PubChem CID130785990
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Name7-ethyl-1-benzothiophene-3,5-diol
SMILESCCc1cc(O)cc2c(O)csc12
InChIInChI=1S/C10H10O2S/c1-2-6-3-7(11)4-8-9(12)5-13-10(6)8/h3-5,11-12H,2H2,1H3
InChIKeyPHFBDIFLMUNHOZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

7-sulfanyl-1-benzothiophene-3,5-diol
CID 130803540
7-(difluoromethyl)-1-benzothiophene-3,5-diol
CID 131031223
3-bromo-7-(bromomethyl)-1-benzothiophen-5-ol
CID 130987984
7-(chloromethyl)-6-ethyl-1-benzothiophen-3-ol
CID 130987982
7-(hydroxymethyl)-5-methoxy-1-benzothiophen-3-ol
CID 131001186
5-ethyl-4-methylbenzene-1,3-diol
CID 12815574
4-ethyl-3-hydroxy-1-benzothiophene-7-carbaldehyde
CID 130942152
5,7-diethyl-3-iodo-1-benzothiophene
CID 131076013
7-ethyl-2-sulfanyl-1-benzothiophen-5-ol
CID 131145551
5-bromo-7-ethyl-3-fluoro-1-benzothiophene
CID 130926140
7-methyl-5-sulfanyl-1-benzothiophen-3-ol
CID 130821450
5-(bromomethyl)-1-benzothiophene-3,7-diol
CID 130826553

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-benzothiophene-3,5-diol?
The IUPAC name of 7-ethyl-1-benzothiophene-3,5-diol (CID 130785990) is 7-ethyl-1-benzothiophene-3,5-diol.
What is the SMILES notation for 7-ethyl-1-benzothiophene-3,5-diol?
The canonical SMILES for 7-ethyl-1-benzothiophene-3,5-diol is CCc1cc(O)cc2c(O)csc12.
What is the InChIKey of 7-ethyl-1-benzothiophene-3,5-diol?
The InChIKey is PHFBDIFLMUNHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S/c1-2-6-3-7(11)4-8-9(12)5-13-10(6)8/h3-5,11-12H,2H2,1H3.
What are the key properties of 7-ethyl-1-benzothiophene-3,5-diol?
7-ethyl-1-benzothiophene-3,5-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 7-ethyl-1-benzothiophene-3,5-diol is sourced from PubChem (CID 130785990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).