3-ethyl-2-methoxy-1-benzothiophen-4-ol

C11H12O2S — CID 131196111

IUPAC3-ethyl-2-methoxy-1-benzothiophen-4-ol
SMILESCCc1c(OC)sc2cccc(O)c12
InChIInChI=1S/C11H12O2S/c1-3-7-10-8(12)5-4-6-9(10)14-11(7)13-2/h4-6,12H,3H2,1-2H3
InChIKeyZCNZLFJXRGWGMA-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.18
Rot. Bonds2

About 3-ethyl-2-methoxy-1-benzothiophen-4-ol

3-ethyl-2-methoxy-1-benzothiophen-4-ol (PubChem CID 131196111) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is 3-ethyl-2-methoxy-1-benzothiophen-4-ol.

Molecular Properties

Compound Name3-ethyl-2-methoxy-1-benzothiophen-4-ol
PubChem CID131196111
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name3-ethyl-2-methoxy-1-benzothiophen-4-ol
SMILESCCc1c(OC)sc2cccc(O)c12
InChIInChI=1S/C11H12O2S/c1-3-7-10-8(12)5-4-6-9(10)14-11(7)13-2/h4-6,12H,3H2,1-2H3
InChIKeyZCNZLFJXRGWGMA-UHFFFAOYSA-N
XLogP3.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-ethyl-1-benzothiophen-4-ol
CID 22737147
3-fluoro-4-iodo-2-methoxy-1-benzothiophene
CID 131145524
3-(chloromethyl)-2-fluoro-1-benzothiophen-4-ol
CID 130970873
2-ethyl-3-methoxy-8-methylnaphthalen-1-ol
CID 14616022
4-ethyl-3-methoxy-1-benzothiophene-2-thiol
CID 131124437
3-(dimethoxyamino)-2-ethylphenol
CID 141144177
2-ethylbenzene-1,3-diol;2-propylbenzene-1,3-diol
CID 159775903
4-(chloromethyl)-3-ethyl-2-iodo-1-benzothiophene
CID 131218656
(2-chloro-4-ethyl-1-benzothiophen-3-yl)methanol
CID 131217352
8-ethyl-7-fluoronaphthalen-1-ol;platinum
CID 177203434
2-(chloromethyl)-3-sulfanyl-1-benzothiophen-4-ol
CID 130956097
3-amino-2-(chloromethyl)-1-benzothiophen-4-ol
CID 131215373

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methoxy-1-benzothiophen-4-ol?
The IUPAC name of 3-ethyl-2-methoxy-1-benzothiophen-4-ol (CID 131196111) is 3-ethyl-2-methoxy-1-benzothiophen-4-ol.
What is the SMILES notation for 3-ethyl-2-methoxy-1-benzothiophen-4-ol?
The canonical SMILES for 3-ethyl-2-methoxy-1-benzothiophen-4-ol is CCc1c(OC)sc2cccc(O)c12.
What is the InChIKey of 3-ethyl-2-methoxy-1-benzothiophen-4-ol?
The InChIKey is ZCNZLFJXRGWGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S/c1-3-7-10-8(12)5-4-6-9(10)14-11(7)13-2/h4-6,12H,3H2,1-2H3.
What are the key properties of 3-ethyl-2-methoxy-1-benzothiophen-4-ol?
3-ethyl-2-methoxy-1-benzothiophen-4-ol has a molecular weight of 208.28 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methoxy-1-benzothiophen-4-ol is sourced from PubChem (CID 131196111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).