6-(hydroxymethyl)-3-methyl-1-benzothiophene-7-carbaldehyde

C11H10O2S — CID 130914822

IUPAC6-(hydroxymethyl)-3-methyl-1-benzothiophene-7-carbaldehyde
SMILESCc1csc2c(C=O)c(CO)ccc12
InChIInChI=1S/C11H10O2S/c1-7-6-14-11-9(7)3-2-8(4-12)10(11)5-13/h2-3,5-6,12H,4H2,1H3
InChIKeyJQIKAKPALPAZCK-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.51
Rot. Bonds2

About 6-(hydroxymethyl)-3-methyl-1-benzothiophene-7-carbaldehyde

6-(hydroxymethyl)-3-methyl-1-benzothiophene-7-carbaldehyde (PubChem CID 130914822) has the molecular formula C11H10O2S and a molecular weight of 206.27 g/mol. Its IUPAC name is 6-(hydroxymethyl)-3-methyl-1-benzothiophene-7-carbaldehyde.

Molecular Properties

Compound Name6-(hydroxymethyl)-3-methyl-1-benzothiophene-7-carbaldehyde
PubChem CID130914822
Molecular FormulaC11H10O2S
Molecular Weight206.27 g/mol
Exact Mass206.04
IUPAC Name6-(hydroxymethyl)-3-methyl-1-benzothiophene-7-carbaldehyde
SMILESCc1csc2c(C=O)c(CO)ccc12
InChIInChI=1S/C11H10O2S/c1-7-6-14-11-9(7)3-2-8(4-12)10(11)5-13/h2-3,5-6,12H,4H2,1H3
InChIKeyJQIKAKPALPAZCK-UHFFFAOYSA-N
XLogP2.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(hydroxymethyl)-3-methyl-1-benzothiophene-7-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-3-methyl-1-benzothiophene-7-carbaldehyde?
The IUPAC name of 6-(hydroxymethyl)-3-methyl-1-benzothiophene-7-carbaldehyde (CID 130914822) is 6-(hydroxymethyl)-3-methyl-1-benzothiophene-7-carbaldehyde.
What is the SMILES notation for 6-(hydroxymethyl)-3-methyl-1-benzothiophene-7-carbaldehyde?
The canonical SMILES for 6-(hydroxymethyl)-3-methyl-1-benzothiophene-7-carbaldehyde is Cc1csc2c(C=O)c(CO)ccc12.
What is the InChIKey of 6-(hydroxymethyl)-3-methyl-1-benzothiophene-7-carbaldehyde?
The InChIKey is JQIKAKPALPAZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2S/c1-7-6-14-11-9(7)3-2-8(4-12)10(11)5-13/h2-3,5-6,12H,4H2,1H3.
What are the key properties of 6-(hydroxymethyl)-3-methyl-1-benzothiophene-7-carbaldehyde?
6-(hydroxymethyl)-3-methyl-1-benzothiophene-7-carbaldehyde has a molecular weight of 206.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-3-methyl-1-benzothiophene-7-carbaldehyde is sourced from PubChem (CID 130914822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).