6-(hydroxymethyl)-3-methyl-1-benzothiophen-7-ol

C10H10O2S — CID 131138081

IUPAC6-(hydroxymethyl)-3-methyl-1-benzothiophen-7-ol
SMILESCc1csc2c(O)c(CO)ccc12
InChIInChI=1S/C10H10O2S/c1-6-5-13-10-8(6)3-2-7(4-11)9(10)12/h2-3,5,11-12H,4H2,1H3
InChIKeyFRDQBTMRBVFWLR-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.41
Rot. Bonds1

About 6-(hydroxymethyl)-3-methyl-1-benzothiophen-7-ol

6-(hydroxymethyl)-3-methyl-1-benzothiophen-7-ol (PubChem CID 131138081) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is 6-(hydroxymethyl)-3-methyl-1-benzothiophen-7-ol.

Molecular Properties

Compound Name6-(hydroxymethyl)-3-methyl-1-benzothiophen-7-ol
PubChem CID131138081
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Name6-(hydroxymethyl)-3-methyl-1-benzothiophen-7-ol
SMILESCc1csc2c(O)c(CO)ccc12
InChIInChI=1S/C10H10O2S/c1-6-5-13-10-8(6)3-2-7(4-11)9(10)12/h2-3,5,11-12H,4H2,1H3
InChIKeyFRDQBTMRBVFWLR-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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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-3-methyl-1-benzothiophen-7-ol?
The IUPAC name of 6-(hydroxymethyl)-3-methyl-1-benzothiophen-7-ol (CID 131138081) is 6-(hydroxymethyl)-3-methyl-1-benzothiophen-7-ol.
What is the SMILES notation for 6-(hydroxymethyl)-3-methyl-1-benzothiophen-7-ol?
The canonical SMILES for 6-(hydroxymethyl)-3-methyl-1-benzothiophen-7-ol is Cc1csc2c(O)c(CO)ccc12.
What is the InChIKey of 6-(hydroxymethyl)-3-methyl-1-benzothiophen-7-ol?
The InChIKey is FRDQBTMRBVFWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S/c1-6-5-13-10-8(6)3-2-7(4-11)9(10)12/h2-3,5,11-12H,4H2,1H3.
What are the key properties of 6-(hydroxymethyl)-3-methyl-1-benzothiophen-7-ol?
6-(hydroxymethyl)-3-methyl-1-benzothiophen-7-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 6-(hydroxymethyl)-3-methyl-1-benzothiophen-7-ol is sourced from PubChem (CID 131138081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).