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

C11H12O2S — CID 130898901

IUPAC3-ethyl-2-(hydroxymethyl)-1-benzothiophen-5-ol
SMILESCCc1c(CO)sc2ccc(O)cc12
InChIInChI=1S/C11H12O2S/c1-2-8-9-5-7(13)3-4-10(9)14-11(8)6-12/h3-5,12-13H,2,6H2,1H3
InChIKeyVMGBSUDDWSHRQA-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.66
Rot. Bonds2

About 3-ethyl-2-(hydroxymethyl)-1-benzothiophen-5-ol

3-ethyl-2-(hydroxymethyl)-1-benzothiophen-5-ol (PubChem CID 130898901) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is 3-ethyl-2-(hydroxymethyl)-1-benzothiophen-5-ol.

Molecular Properties

Compound Name3-ethyl-2-(hydroxymethyl)-1-benzothiophen-5-ol
PubChem CID130898901
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name3-ethyl-2-(hydroxymethyl)-1-benzothiophen-5-ol
SMILESCCc1c(CO)sc2ccc(O)cc12
InChIInChI=1S/C11H12O2S/c1-2-8-9-5-7(13)3-4-10(9)14-11(8)6-12/h3-5,12-13H,2,6H2,1H3
InChIKeyVMGBSUDDWSHRQA-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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Related Compounds

2-amino-3-ethyl-1-benzothiophen-5-ol
CID 131080497
2-(hydroxymethyl)-3-methoxy-1-benzothiophen-5-ol
CID 130969763
2,3-diethyl-1-benzothiophen-6-ol
CID 131191073
2-(hydroxymethyl)-1-benzothiophene-3,6-diol
CID 130803251
5-bromo-2-(chloromethyl)-3-ethyl-1-benzothiophene
CID 130914446
2-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol
CID 130914616
3-amino-2-ethyl-1-benzothiophen-6-ol
CID 131055002
(5-bromo-2-ethyl-1-benzothiophen-4-yl)methanol
CID 130951766
ethyl 3-ethyl-6-hydroxy-1-benzothiophene-2-carboxylate
CID 142739792
2,5-dibromo-3-ethyl-1-benzothiophene
CID 131030787
2-butyl-6-hydroxythiochromen-4-one
CID 18320779
N-[(5-chloro-3-ethyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 113459877

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(hydroxymethyl)-1-benzothiophen-5-ol?
The IUPAC name of 3-ethyl-2-(hydroxymethyl)-1-benzothiophen-5-ol (CID 130898901) is 3-ethyl-2-(hydroxymethyl)-1-benzothiophen-5-ol.
What is the SMILES notation for 3-ethyl-2-(hydroxymethyl)-1-benzothiophen-5-ol?
The canonical SMILES for 3-ethyl-2-(hydroxymethyl)-1-benzothiophen-5-ol is CCc1c(CO)sc2ccc(O)cc12.
What is the InChIKey of 3-ethyl-2-(hydroxymethyl)-1-benzothiophen-5-ol?
The InChIKey is VMGBSUDDWSHRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S/c1-2-8-9-5-7(13)3-4-10(9)14-11(8)6-12/h3-5,12-13H,2,6H2,1H3.
What are the key properties of 3-ethyl-2-(hydroxymethyl)-1-benzothiophen-5-ol?
3-ethyl-2-(hydroxymethyl)-1-benzothiophen-5-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 3-ethyl-2-(hydroxymethyl)-1-benzothiophen-5-ol is sourced from PubChem (CID 130898901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).