5-hydroxy-6-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde

C10H8O3S — CID 130821284

IUPAC5-hydroxy-6-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde
SMILESO=Cc1cc2cc(O)c(CO)cc2s1
InChIInChI=1S/C10H8O3S/c11-4-7-3-10-6(2-9(7)13)1-8(5-12)14-10/h1-3,5,11,13H,4H2
InChIKeyDBWXWBNHKXMMMT-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.91
Rot. Bonds2

About 5-hydroxy-6-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde

5-hydroxy-6-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde (PubChem CID 130821284) has the molecular formula C10H8O3S and a molecular weight of 208.24 g/mol. Its IUPAC name is 5-hydroxy-6-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-hydroxy-6-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde
PubChem CID130821284
Molecular FormulaC10H8O3S
Molecular Weight208.24 g/mol
Exact Mass208.02
IUPAC Name5-hydroxy-6-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde
SMILESO=Cc1cc2cc(O)c(CO)cc2s1
InChIInChI=1S/C10H8O3S/c11-4-7-3-10-6(2-9(7)13)1-8(5-12)14-10/h1-3,5,11,13H,4H2
InChIKeyDBWXWBNHKXMMMT-UHFFFAOYSA-N
XLogP1.91
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde?
The IUPAC name of 5-hydroxy-6-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde (CID 130821284) is 5-hydroxy-6-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde.
What is the SMILES notation for 5-hydroxy-6-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde?
The canonical SMILES for 5-hydroxy-6-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde is O=Cc1cc2cc(O)c(CO)cc2s1.
What is the InChIKey of 5-hydroxy-6-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde?
The InChIKey is DBWXWBNHKXMMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3S/c11-4-7-3-10-6(2-9(7)13)1-8(5-12)14-10/h1-3,5,11,13H,4H2.
What are the key properties of 5-hydroxy-6-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde?
5-hydroxy-6-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde has a molecular weight of 208.24 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde is sourced from PubChem (CID 130821284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).