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

C9H7IO2S — CID 130961297

IUPAC6-(hydroxymethyl)-7-iodo-1-benzothiophen-3-ol
SMILESOCc1ccc2c(O)csc2c1I
InChIInChI=1S/C9H7IO2S/c10-8-5(3-11)1-2-6-7(12)4-13-9(6)8/h1-2,4,11-12H,3H2
InChIKeySFWOFIZYBIOYNL-UHFFFAOYSA-N
MW306.12 g/mol
LogP2.70
Rot. Bonds1

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

6-(hydroxymethyl)-7-iodo-1-benzothiophen-3-ol (PubChem CID 130961297) has the molecular formula C9H7IO2S and a molecular weight of 306.12 g/mol. Its IUPAC name is 6-(hydroxymethyl)-7-iodo-1-benzothiophen-3-ol.

Molecular Properties

Compound Name6-(hydroxymethyl)-7-iodo-1-benzothiophen-3-ol
PubChem CID130961297
Molecular FormulaC9H7IO2S
Molecular Weight306.12 g/mol
Exact Mass305.92
IUPAC Name6-(hydroxymethyl)-7-iodo-1-benzothiophen-3-ol
SMILESOCc1ccc2c(O)csc2c1I
InChIInChI=1S/C9H7IO2S/c10-8-5(3-11)1-2-6-7(12)4-13-9(6)8/h1-2,4,11-12H,3H2
InChIKeySFWOFIZYBIOYNL-UHFFFAOYSA-N
XLogP2.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

7-(hydroxymethyl)-1-benzothiophene-3,4-diol
CID 130803250
1-benzothiophene-3,7-diol
CID 91345161
7-(chloromethyl)-6-iodo-1-benzothiophen-3-ol
CID 130971126
7-(chloromethyl)-6-ethyl-1-benzothiophen-3-ol
CID 130987982
6-(hydroxymethyl)-3-methyl-1-benzothiophen-7-ol
CID 131138081
(3,4-difluoro-2-iodophenyl)methanol
CID 137378555
[6-(chloromethyl)-7-iodo-1-benzothiophen-4-yl]methanol
CID 131014412
7-(hydroxymethyl)-5-methoxy-1-benzothiophen-3-ol
CID 131001186
(3-bromo-7-chloro-1-benzothiophen-6-yl)methanol
CID 130792540
(7-fluoro-3-sulfanyl-1-benzothiophen-6-yl)methanol
CID 131000562
(2-amino-7-iodo-1-benzothiophen-6-yl)methanol
CID 131034404
(7-bromo-1-benzothiophen-3-yl)methanol
CID 81142228

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-7-iodo-1-benzothiophen-3-ol?
The IUPAC name of 6-(hydroxymethyl)-7-iodo-1-benzothiophen-3-ol (CID 130961297) is 6-(hydroxymethyl)-7-iodo-1-benzothiophen-3-ol.
What is the SMILES notation for 6-(hydroxymethyl)-7-iodo-1-benzothiophen-3-ol?
The canonical SMILES for 6-(hydroxymethyl)-7-iodo-1-benzothiophen-3-ol is OCc1ccc2c(O)csc2c1I.
What is the InChIKey of 6-(hydroxymethyl)-7-iodo-1-benzothiophen-3-ol?
The InChIKey is SFWOFIZYBIOYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IO2S/c10-8-5(3-11)1-2-6-7(12)4-13-9(6)8/h1-2,4,11-12H,3H2.
What are the key properties of 6-(hydroxymethyl)-7-iodo-1-benzothiophen-3-ol?
6-(hydroxymethyl)-7-iodo-1-benzothiophen-3-ol has a molecular weight of 306.12 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-7-iodo-1-benzothiophen-3-ol is sourced from PubChem (CID 130961297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).