2-(hydroxymethyl)-6-methyl-1-benzothiophen-3-ol

C10H10O2S — CID 130803524

IUPAC2-(hydroxymethyl)-6-methyl-1-benzothiophen-3-ol
SMILESCc1ccc2c(O)c(CO)sc2c1
InChIInChI=1S/C10H10O2S/c1-6-2-3-7-8(4-6)13-9(5-11)10(7)12/h2-4,11-12H,5H2,1H3
InChIKeyPVRVQAZALUEKND-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.41
Rot. Bonds1

About 2-(hydroxymethyl)-6-methyl-1-benzothiophen-3-ol

2-(hydroxymethyl)-6-methyl-1-benzothiophen-3-ol (PubChem CID 130803524) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-methyl-1-benzothiophen-3-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-methyl-1-benzothiophen-3-ol
PubChem CID130803524
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Name2-(hydroxymethyl)-6-methyl-1-benzothiophen-3-ol
SMILESCc1ccc2c(O)c(CO)sc2c1
InChIInChI=1S/C10H10O2S/c1-6-2-3-7-8(4-6)13-9(5-11)10(7)12/h2-4,11-12H,5H2,1H3
InChIKeyPVRVQAZALUEKND-UHFFFAOYSA-N
XLogP2.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

2-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol
CID 130914616
2-(hydroxymethyl)-1-benzothiophene-3,6-diol
CID 130803251
6-methyl-3-sulfanyl-1-benzothiophen-2-ol
CID 130961928
3-(bromomethyl)-6-methyl-1-benzothiophen-2-ol
CID 130803678
2-ethyl-3-hydroxy-1-benzothiophene-6-carbonitrile
CID 130792165
2-(bromomethyl)-6-methoxy-1-benzothiophen-3-ol
CID 131031026
7,19-dimethyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 156529970
3,7-dimethyldibenzothiophene;5-hydroxy-3,7-dimethylbenzo[b]phosphindole
CID 143237418
2,3-difluoro-6-methyl-1-benzothiophene
CID 129075425
4,7-dimethylthiochromene-2-thione
CID 12630081
2-chloro-3-fluoro-6-methyl-1-benzothiophene
CID 129075511
2-(hydroxymethyl)-3-methoxy-1-benzothiophen-5-ol
CID 130969763

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-methyl-1-benzothiophen-3-ol?
The IUPAC name of 2-(hydroxymethyl)-6-methyl-1-benzothiophen-3-ol (CID 130803524) is 2-(hydroxymethyl)-6-methyl-1-benzothiophen-3-ol.
What is the SMILES notation for 2-(hydroxymethyl)-6-methyl-1-benzothiophen-3-ol?
The canonical SMILES for 2-(hydroxymethyl)-6-methyl-1-benzothiophen-3-ol is Cc1ccc2c(O)c(CO)sc2c1.
What is the InChIKey of 2-(hydroxymethyl)-6-methyl-1-benzothiophen-3-ol?
The InChIKey is PVRVQAZALUEKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S/c1-6-2-3-7-8(4-6)13-9(5-11)10(7)12/h2-4,11-12H,5H2,1H3.
What are the key properties of 2-(hydroxymethyl)-6-methyl-1-benzothiophen-3-ol?
2-(hydroxymethyl)-6-methyl-1-benzothiophen-3-ol has a molecular weight of 194.25 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-methyl-1-benzothiophen-3-ol is sourced from PubChem (CID 130803524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).