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

Name: 5-ethyl-2-methoxy-1-benzothiophen-4-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₂O₂S — CID 130857304

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5-ethyl-2-methoxy-1-benzothiophen-4-ol

SMILESCCc1ccc2sc(OC)cc2c1O

InChIInChI=1S/C11H12O2S/c1-3-7-4-5-9-8(11(7)12)6-10(13-2)14-9/h4-6,12H,3H2,1-2H3

InChIKeyPXBXCGYKIKCXGI-UHFFFAOYSA-N

MW208.28 g/mol

LogP3.18

Rot. Bonds2

About 5-ethyl-2-methoxy-1-benzothiophen-4-ol

5-ethyl-2-methoxy-1-benzothiophen-4-ol (PubChem CID 130857304) has the molecular formula C₁₁H₁₂O₂S and a molecular weight of 208.28 g/mol. Its IUPAC name is 5-ethyl-2-methoxy-1-benzothiophen-4-ol.

Molecular Properties

Compound Name	5-ethyl-2-methoxy-1-benzothiophen-4-ol
PubChem CID	130857304
Molecular Formula	C₁₁H₁₂O₂S
Molecular Weight	208.28 g/mol
Exact Mass	208.06
IUPAC Name	5-ethyl-2-methoxy-1-benzothiophen-4-ol
SMILES	CCc1ccc2sc(OC)cc2c1O
InChI	InChI=1S/C11H12O2S/c1-3-7-4-5-9-8(11(7)12)6-10(13-2)14-9/h4-6,12H,3H2,1-2H3
InChIKey	PXBXCGYKIKCXGI-UHFFFAOYSA-N
XLogP	3.18
TPSA	29.46 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	2
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	208.28
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methoxy-1-benzothiophen-4-ol?

The IUPAC name of 5-ethyl-2-methoxy-1-benzothiophen-4-ol (CID 130857304) is 5-ethyl-2-methoxy-1-benzothiophen-4-ol.

What is the SMILES notation for 5-ethyl-2-methoxy-1-benzothiophen-4-ol?

The canonical SMILES for 5-ethyl-2-methoxy-1-benzothiophen-4-ol is CCc1ccc2sc(OC)cc2c1O.

What is the InChIKey of 5-ethyl-2-methoxy-1-benzothiophen-4-ol?

The InChIKey is PXBXCGYKIKCXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S/c1-3-7-4-5-9-8(11(7)12)6-10(13-2)14-9/h4-6,12H,3H2,1-2H3.

What are the key properties of 5-ethyl-2-methoxy-1-benzothiophen-4-ol?

5-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 5-ethyl-2-methoxy-1-benzothiophen-4-ol is sourced from PubChem (CID 130857304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 130857304 — identifiers, structure, computed properties (public domain)

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