6-ethyl-5-(hydroxymethyl)-1-benzothiophen-2-ol

C11H12O2S — CID 131197603

IUPAC6-ethyl-5-(hydroxymethyl)-1-benzothiophen-2-ol
SMILESCCc1cc2sc(O)cc2cc1CO
InChIInChI=1S/C11H12O2S/c1-2-7-4-10-8(3-9(7)6-12)5-11(13)14-10/h3-5,12-13H,2,6H2,1H3
InChIKeyQOPYLGFJUBUGAT-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.66
Rot. Bonds2

About 6-ethyl-5-(hydroxymethyl)-1-benzothiophen-2-ol

6-ethyl-5-(hydroxymethyl)-1-benzothiophen-2-ol (PubChem CID 131197603) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is 6-ethyl-5-(hydroxymethyl)-1-benzothiophen-2-ol.

Molecular Properties

Compound Name6-ethyl-5-(hydroxymethyl)-1-benzothiophen-2-ol
PubChem CID131197603
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name6-ethyl-5-(hydroxymethyl)-1-benzothiophen-2-ol
SMILESCCc1cc2sc(O)cc2cc1CO
InChIInChI=1S/C11H12O2S/c1-2-7-4-10-8(3-9(7)6-12)5-11(13)14-10/h3-5,12-13H,2,6H2,1H3
InChIKeyQOPYLGFJUBUGAT-UHFFFAOYSA-N
XLogP2.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-(hydroxymethyl)-1-benzothiophen-2-ol?
The IUPAC name of 6-ethyl-5-(hydroxymethyl)-1-benzothiophen-2-ol (CID 131197603) is 6-ethyl-5-(hydroxymethyl)-1-benzothiophen-2-ol.
What is the SMILES notation for 6-ethyl-5-(hydroxymethyl)-1-benzothiophen-2-ol?
The canonical SMILES for 6-ethyl-5-(hydroxymethyl)-1-benzothiophen-2-ol is CCc1cc2sc(O)cc2cc1CO.
What is the InChIKey of 6-ethyl-5-(hydroxymethyl)-1-benzothiophen-2-ol?
The InChIKey is QOPYLGFJUBUGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S/c1-2-7-4-10-8(3-9(7)6-12)5-11(13)14-10/h3-5,12-13H,2,6H2,1H3.
What are the key properties of 6-ethyl-5-(hydroxymethyl)-1-benzothiophen-2-ol?
6-ethyl-5-(hydroxymethyl)-1-benzothiophen-2-ol has a molecular weight of 208.28 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-(hydroxymethyl)-1-benzothiophen-2-ol is sourced from PubChem (CID 131197603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).