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

C9H7IO2S — CID 131169665

IUPAC7-(hydroxymethyl)-6-iodo-1-benzothiophen-2-ol
SMILESOCc1c(I)ccc2cc(O)sc12
InChIInChI=1S/C9H7IO2S/c10-7-2-1-5-3-8(12)13-9(5)6(7)4-11/h1-3,11-12H,4H2
InChIKeyOAAPBXIQDVAGHJ-UHFFFAOYSA-N
MW306.12 g/mol
LogP2.70
Rot. Bonds1

About 7-(hydroxymethyl)-6-iodo-1-benzothiophen-2-ol

7-(hydroxymethyl)-6-iodo-1-benzothiophen-2-ol (PubChem CID 131169665) has the molecular formula C9H7IO2S and a molecular weight of 306.12 g/mol. Its IUPAC name is 7-(hydroxymethyl)-6-iodo-1-benzothiophen-2-ol.

Molecular Properties

Compound Name7-(hydroxymethyl)-6-iodo-1-benzothiophen-2-ol
PubChem CID131169665
Molecular FormulaC9H7IO2S
Molecular Weight306.12 g/mol
Exact Mass305.92
IUPAC Name7-(hydroxymethyl)-6-iodo-1-benzothiophen-2-ol
SMILESOCc1c(I)ccc2cc(O)sc12
InChIInChI=1S/C9H7IO2S/c10-7-2-1-5-3-8(12)13-9(5)6(7)4-11/h1-3,11-12H,4H2
InChIKeyOAAPBXIQDVAGHJ-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-hydroxy-6-iodo-1-benzothiophene-7-carbaldehyde
CID 130870877
7-iodo-6-methyl-1-benzothiophen-2-ol
CID 130870307
7-(chloromethyl)-6-fluoro-1-benzothiophen-2-ol
CID 130955566
(2-iodo-6-methyl-1-benzothiophen-7-yl)methanol
CID 131124401
6-hydroxy-7-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde
CID 131145574
2-(2-amino-6-iodo-1-benzothiophen-7-yl)acetonitrile
CID 130898438
(2-bromo-5-iodo-1-benzothiophen-4-yl)methanol
CID 130855107
(2-chloro-6-methylsulfanyl-1-benzothiophen-7-yl)methanol
CID 130985401
7-(hydroxymethyl)-6-methyl-1-benzothiophene-2-carbonitrile
CID 131030778
6-ethyl-2-hydroxy-1-benzothiophene-7-carbonitrile
CID 131190958
(2-amino-6-methylsulfanyl-1-benzothiophen-7-yl)methanol
CID 131076195
(2-amino-6-methoxy-1-benzothiophen-7-yl)methanol
CID 130821048

Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-6-iodo-1-benzothiophen-2-ol?
The IUPAC name of 7-(hydroxymethyl)-6-iodo-1-benzothiophen-2-ol (CID 131169665) is 7-(hydroxymethyl)-6-iodo-1-benzothiophen-2-ol.
What is the SMILES notation for 7-(hydroxymethyl)-6-iodo-1-benzothiophen-2-ol?
The canonical SMILES for 7-(hydroxymethyl)-6-iodo-1-benzothiophen-2-ol is OCc1c(I)ccc2cc(O)sc12.
What is the InChIKey of 7-(hydroxymethyl)-6-iodo-1-benzothiophen-2-ol?
The InChIKey is OAAPBXIQDVAGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IO2S/c10-7-2-1-5-3-8(12)13-9(5)6(7)4-11/h1-3,11-12H,4H2.
What are the key properties of 7-(hydroxymethyl)-6-iodo-1-benzothiophen-2-ol?
7-(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 7-(hydroxymethyl)-6-iodo-1-benzothiophen-2-ol is sourced from PubChem (CID 131169665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).