2-(hydroxymethyl)-7-methyl-1-benzothiophen-5-ol

C10H10O2S — CID 130805249

IUPAC2-(hydroxymethyl)-7-methyl-1-benzothiophen-5-ol
SMILESCc1cc(O)cc2cc(CO)sc12
InChIInChI=1S/C10H10O2S/c1-6-2-8(12)3-7-4-9(5-11)13-10(6)7/h2-4,11-12H,5H2,1H3
InChIKeyJCKOWKVTLZQTHL-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.41
Rot. Bonds1

About 2-(hydroxymethyl)-7-methyl-1-benzothiophen-5-ol

2-(hydroxymethyl)-7-methyl-1-benzothiophen-5-ol (PubChem CID 130805249) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-(hydroxymethyl)-7-methyl-1-benzothiophen-5-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-7-methyl-1-benzothiophen-5-ol
PubChem CID130805249
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Name2-(hydroxymethyl)-7-methyl-1-benzothiophen-5-ol
SMILESCc1cc(O)cc2cc(CO)sc12
InChIInChI=1S/C10H10O2S/c1-6-2-8(12)3-7-4-9(5-11)13-10(6)7/h2-4,11-12H,5H2,1H3
InChIKeyJCKOWKVTLZQTHL-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

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Related Compounds

(7-methyl-5-sulfanyl-1-benzothiophen-2-yl)methanol
CID 131080883
(5,7-dibromo-1-benzothiophen-2-yl)methanol
CID 130982936
7-methyl-1-benzothiophen-5-ol
CID 54126935
2-(hydroxymethyl)-7-methylsulfanyl-1-benzothiophen-6-ol
CID 131057252
(5-amino-7-iodo-1-benzothiophen-2-yl)methanol
CID 131014314
2-(bromomethyl)-5-methoxy-7-methyl-1-benzothiophene
CID 130805587
(7-bromo-1-benzothiophen-2-yl)methanol
CID 53396438
(7-methyl-4-methylsulfanyl-1-benzothiophen-2-yl)methanol
CID 130821638
2-(bromomethyl)-5-hydroxy-1-benzothiophene-7-carbonitrile
CID 130826649
2-(hydroxymethyl)-7-methoxy-1-benzothiophen-4-ol
CID 130885124
2-(methoxymethyl)-7-methyl-1-benzothiophene
CID 117186455
(7-amino-6-bromo-1-benzothiophen-2-yl)methanol
CID 130805571

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-7-methyl-1-benzothiophen-5-ol?
The IUPAC name of 2-(hydroxymethyl)-7-methyl-1-benzothiophen-5-ol (CID 130805249) is 2-(hydroxymethyl)-7-methyl-1-benzothiophen-5-ol.
What is the SMILES notation for 2-(hydroxymethyl)-7-methyl-1-benzothiophen-5-ol?
The canonical SMILES for 2-(hydroxymethyl)-7-methyl-1-benzothiophen-5-ol is Cc1cc(O)cc2cc(CO)sc12.
What is the InChIKey of 2-(hydroxymethyl)-7-methyl-1-benzothiophen-5-ol?
The InChIKey is JCKOWKVTLZQTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S/c1-6-2-8(12)3-7-4-9(5-11)13-10(6)7/h2-4,11-12H,5H2,1H3.
What are the key properties of 2-(hydroxymethyl)-7-methyl-1-benzothiophen-5-ol?
2-(hydroxymethyl)-7-methyl-1-benzothiophen-5-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)-7-methyl-1-benzothiophen-5-ol is sourced from PubChem (CID 130805249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).