2-ethyl-7-methoxy-1-benzothiophen-6-ol

C11H12O2S — CID 131057609

IUPAC2-ethyl-7-methoxy-1-benzothiophen-6-ol
SMILESCCc1cc2ccc(O)c(OC)c2s1
InChIInChI=1S/C11H12O2S/c1-3-8-6-7-4-5-9(12)10(13-2)11(7)14-8/h4-6,12H,3H2,1-2H3
InChIKeyPXUIAKAXFFKXPS-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.18
Rot. Bonds2

About 2-ethyl-7-methoxy-1-benzothiophen-6-ol

2-ethyl-7-methoxy-1-benzothiophen-6-ol (PubChem CID 131057609) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-ethyl-7-methoxy-1-benzothiophen-6-ol.

Molecular Properties

Compound Name2-ethyl-7-methoxy-1-benzothiophen-6-ol
PubChem CID131057609
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name2-ethyl-7-methoxy-1-benzothiophen-6-ol
SMILESCCc1cc2ccc(O)c(OC)c2s1
InChIInChI=1S/C11H12O2S/c1-3-8-6-7-4-5-9(12)10(13-2)11(7)14-8/h4-6,12H,3H2,1-2H3
InChIKeyPXUIAKAXFFKXPS-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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methoxy-1-benzothiophen-6-ol?
The IUPAC name of 2-ethyl-7-methoxy-1-benzothiophen-6-ol (CID 131057609) is 2-ethyl-7-methoxy-1-benzothiophen-6-ol.
What is the SMILES notation for 2-ethyl-7-methoxy-1-benzothiophen-6-ol?
The canonical SMILES for 2-ethyl-7-methoxy-1-benzothiophen-6-ol is CCc1cc2ccc(O)c(OC)c2s1.
What is the InChIKey of 2-ethyl-7-methoxy-1-benzothiophen-6-ol?
The InChIKey is PXUIAKAXFFKXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S/c1-3-8-6-7-4-5-9(12)10(13-2)11(7)14-8/h4-6,12H,3H2,1-2H3.
What are the key properties of 2-ethyl-7-methoxy-1-benzothiophen-6-ol?
2-ethyl-7-methoxy-1-benzothiophen-6-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 2-ethyl-7-methoxy-1-benzothiophen-6-ol is sourced from PubChem (CID 131057609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).