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

C10H10O2S — CID 130914616

IUPAC2-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol
SMILESCc1ccc2sc(CO)c(O)c2c1
InChIInChI=1S/C10H10O2S/c1-6-2-3-8-7(4-6)10(12)9(5-11)13-8/h2-4,11-12H,5H2,1H3
InChIKeyMSXNLLFPBHUDHG-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.41
Rot. Bonds1

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

2-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol (PubChem CID 130914616) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol
PubChem CID130914616
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Name2-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol
SMILESCc1ccc2sc(CO)c(O)c2c1
InChIInChI=1S/C10H10O2S/c1-6-2-3-8-7(4-6)10(12)9(5-11)13-8/h2-4,11-12H,5H2,1H3
InChIKeyMSXNLLFPBHUDHG-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)-6-methyl-1-benzothiophen-3-ol
CID 130803524
2-(hydroxymethyl)-1-benzothiophene-3,6-diol
CID 130803251
6,18-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 155358638
2-(hydroxymethyl)-3-methoxy-1-benzothiophen-5-ol
CID 130969763
3-ethyl-2-(hydroxymethyl)-1-benzothiophen-5-ol
CID 130898901
(3-methyl-5-methylsulfanyl-1-benzothiophen-2-yl)methanol
CID 131197439
methyl 2-(methoxymethyl)-5-methyl-1-benzothiophene-3-carboxylate
CID 126592526
(8-methylnaphtho[1,2-b][1]benzothiol-6-yl)methanol
CID 13248494
5-methyl-3-sulfanyl-1-benzothiophene-2-carboxylic acid
CID 130959828
2,5-dimethyl-1-benzothiophene-3-carbonitrile
CID 84739601
N-methyl-1-[5-methyl-3-(2-methylpropyl)-1-benzothiophen-2-yl]methanamine
CID 114377984
(3-fluoro-5-methylsulfanyl-1-benzothiophen-2-yl)methanol
CID 130827118

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol?
The IUPAC name of 2-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol (CID 130914616) is 2-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol.
What is the SMILES notation for 2-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol?
The canonical SMILES for 2-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol is Cc1ccc2sc(CO)c(O)c2c1.
What is the InChIKey of 2-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol?
The InChIKey is MSXNLLFPBHUDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S/c1-6-2-3-8-7(4-6)10(12)9(5-11)13-8/h2-4,11-12H,5H2,1H3.
What are the key properties of 2-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol?
2-(hydroxymethyl)-5-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)-5-methyl-1-benzothiophen-3-ol is sourced from PubChem (CID 130914616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).