3-(hydroxymethyl)-6-iodo-1-benzothiophen-2-ol

C9H7IO2S — CID 130792316

IUPAC3-(hydroxymethyl)-6-iodo-1-benzothiophen-2-ol
SMILESOCc1c(O)sc2cc(I)ccc12
InChIInChI=1S/C9H7IO2S/c10-5-1-2-6-7(4-11)9(12)13-8(6)3-5/h1-3,11-12H,4H2
InChIKeyWPLMCHBGPVOPNY-UHFFFAOYSA-N
MW306.12 g/mol
LogP2.70
Rot. Bonds1

About 3-(hydroxymethyl)-6-iodo-1-benzothiophen-2-ol

3-(hydroxymethyl)-6-iodo-1-benzothiophen-2-ol (PubChem CID 130792316) has the molecular formula C9H7IO2S and a molecular weight of 306.12 g/mol. Its IUPAC name is 3-(hydroxymethyl)-6-iodo-1-benzothiophen-2-ol.

Molecular Properties

Compound Name3-(hydroxymethyl)-6-iodo-1-benzothiophen-2-ol
PubChem CID130792316
Molecular FormulaC9H7IO2S
Molecular Weight306.12 g/mol
Exact Mass305.92
IUPAC Name3-(hydroxymethyl)-6-iodo-1-benzothiophen-2-ol
SMILESOCc1c(O)sc2cc(I)ccc12
InChIInChI=1S/C9H7IO2S/c10-5-1-2-6-7(4-11)9(12)13-8(6)3-5/h1-3,11-12H,4H2
InChIKeyWPLMCHBGPVOPNY-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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2-ethyl-6-iodo-1-benzothiophen-3-yl)methanol
CID 130942154
3-fluoro-6-iodo-1-benzothiophen-2-ol
CID 131000547
3-chloro-6-iodo-1-benzothiophen-2-ol
CID 131119412
3-(bromomethyl)-6-methyl-1-benzothiophen-2-ol
CID 130803678
3-iododibenzothiophene
CID 86150547
(5-iodo-3-sulfanyl-1-benzothiophen-2-yl)methanol
CID 131219130
3-bromo-2-chloro-6-iodo-1-benzothiophene
CID 130941860
7-bromo-3-(hydroxymethyl)-1-benzothiophen-2-ol
CID 130969980
2-(chloromethyl)-6-iodo-3-methoxy-1-benzothiophene
CID 131076549
[6-(bromomethyl)-2-methyl-1-benzothiophen-3-yl]methanol
CID 131091512
(5-chloro-2-iodo-1-benzothiophen-4-yl)methanol
CID 131031157
2-(hydroxymethyl)-6-methyl-1-benzothiophen-3-ol
CID 130803524

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-6-iodo-1-benzothiophen-2-ol?
The IUPAC name of 3-(hydroxymethyl)-6-iodo-1-benzothiophen-2-ol (CID 130792316) is 3-(hydroxymethyl)-6-iodo-1-benzothiophen-2-ol.
What is the SMILES notation for 3-(hydroxymethyl)-6-iodo-1-benzothiophen-2-ol?
The canonical SMILES for 3-(hydroxymethyl)-6-iodo-1-benzothiophen-2-ol is OCc1c(O)sc2cc(I)ccc12.
What is the InChIKey of 3-(hydroxymethyl)-6-iodo-1-benzothiophen-2-ol?
The InChIKey is WPLMCHBGPVOPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IO2S/c10-5-1-2-6-7(4-11)9(12)13-8(6)3-5/h1-3,11-12H,4H2.
What are the key properties of 3-(hydroxymethyl)-6-iodo-1-benzothiophen-2-ol?
3-(hydroxymethyl)-6-iodo-1-benzothiophen-2-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 3-(hydroxymethyl)-6-iodo-1-benzothiophen-2-ol is sourced from PubChem (CID 130792316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).