6-(hydroxymethyl)-2-iodo-1-benzothiophene-4-carbaldehyde

C10H7IO2S — CID 130827144

IUPAC6-(hydroxymethyl)-2-iodo-1-benzothiophene-4-carbaldehyde
SMILESO=Cc1cc(CO)cc2sc(I)cc12
InChIInChI=1S/C10H7IO2S/c11-10-3-8-7(5-13)1-6(4-12)2-9(8)14-10/h1-3,5,12H,4H2
InChIKeyOULZIXDEXJBXFN-UHFFFAOYSA-N
MW318.14 g/mol
LogP2.81
Rot. Bonds2

About 6-(hydroxymethyl)-2-iodo-1-benzothiophene-4-carbaldehyde

6-(hydroxymethyl)-2-iodo-1-benzothiophene-4-carbaldehyde (PubChem CID 130827144) has the molecular formula C10H7IO2S and a molecular weight of 318.14 g/mol. Its IUPAC name is 6-(hydroxymethyl)-2-iodo-1-benzothiophene-4-carbaldehyde.

Molecular Properties

Compound Name6-(hydroxymethyl)-2-iodo-1-benzothiophene-4-carbaldehyde
PubChem CID130827144
Molecular FormulaC10H7IO2S
Molecular Weight318.14 g/mol
Exact Mass317.92
IUPAC Name6-(hydroxymethyl)-2-iodo-1-benzothiophene-4-carbaldehyde
SMILESO=Cc1cc(CO)cc2sc(I)cc12
InChIInChI=1S/C10H7IO2S/c11-10-3-8-7(5-13)1-6(4-12)2-9(8)14-10/h1-3,5,12H,4H2
InChIKeyOULZIXDEXJBXFN-UHFFFAOYSA-N
XLogP2.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.14
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(hydroxymethyl)-4-methyl-1-benzothiophene-2-carbaldehyde
CID 130900261
4-(bromomethyl)-2-iodo-1-benzothiophene-5-carbaldehyde
CID 130971650
2,4-diiodo-1-benzothiophene-6-carbaldehyde
CID 130969246
3-hydroxy-5-(hydroxymethyl)phthalaldehyde
CID 166810861
3-(hydroxymethyl)-5-iodo-1-benzothiophene-6-carbaldehyde
CID 130913386
2-(bromomethyl)-6-hydroxy-1-benzothiophene-4-carbaldehyde
CID 131029459
2-ethyl-6-hydroxy-1-benzothiophene-4-carbaldehyde
CID 131150677
(4-amino-2-methyl-1-benzothiophen-6-yl)methanol
CID 130788851
3,5-bis(hydroxymethyl)benzaldehyde
CID 87583530
7-fluoro-5-(hydroxymethyl)-1-benzothiophene-3-carbaldehyde
CID 130971815
2-ethyl-5-(hydroxymethyl)benzaldehyde
CID 131311847
6-(chloromethyl)-2-iodo-4-methylsulfanyl-1-benzothiophene
CID 131097083

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-2-iodo-1-benzothiophene-4-carbaldehyde?
The IUPAC name of 6-(hydroxymethyl)-2-iodo-1-benzothiophene-4-carbaldehyde (CID 130827144) is 6-(hydroxymethyl)-2-iodo-1-benzothiophene-4-carbaldehyde.
What is the SMILES notation for 6-(hydroxymethyl)-2-iodo-1-benzothiophene-4-carbaldehyde?
The canonical SMILES for 6-(hydroxymethyl)-2-iodo-1-benzothiophene-4-carbaldehyde is O=Cc1cc(CO)cc2sc(I)cc12.
What is the InChIKey of 6-(hydroxymethyl)-2-iodo-1-benzothiophene-4-carbaldehyde?
The InChIKey is OULZIXDEXJBXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IO2S/c11-10-3-8-7(5-13)1-6(4-12)2-9(8)14-10/h1-3,5,12H,4H2.
What are the key properties of 6-(hydroxymethyl)-2-iodo-1-benzothiophene-4-carbaldehyde?
6-(hydroxymethyl)-2-iodo-1-benzothiophene-4-carbaldehyde has a molecular weight of 318.14 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-2-iodo-1-benzothiophene-4-carbaldehyde is sourced from PubChem (CID 130827144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).