(2-ethyl-6-iodo-1-benzothiophen-3-yl)methanol

C11H11IOS — CID 130942154

IUPAC(2-ethyl-6-iodo-1-benzothiophen-3-yl)methanol
SMILESCCc1sc2cc(I)ccc2c1CO
InChIInChI=1S/C11H11IOS/c1-2-10-9(6-13)8-4-3-7(12)5-11(8)14-10/h3-5,13H,2,6H2,1H3
InChIKeyIFFWURBYQPLZNH-UHFFFAOYSA-N
MW318.18 g/mol
LogP3.56
Rot. Bonds2

About (2-ethyl-6-iodo-1-benzothiophen-3-yl)methanol

(2-ethyl-6-iodo-1-benzothiophen-3-yl)methanol (PubChem CID 130942154) has the molecular formula C11H11IOS and a molecular weight of 318.18 g/mol. Its IUPAC name is (2-ethyl-6-iodo-1-benzothiophen-3-yl)methanol.

Molecular Properties

Compound Name(2-ethyl-6-iodo-1-benzothiophen-3-yl)methanol
PubChem CID130942154
Molecular FormulaC11H11IOS
Molecular Weight318.18 g/mol
Exact Mass317.96
IUPAC Name(2-ethyl-6-iodo-1-benzothiophen-3-yl)methanol
SMILESCCc1sc2cc(I)ccc2c1CO
InChIInChI=1S/C11H11IOS/c1-2-10-9(6-13)8-4-3-7(12)5-11(8)14-10/h3-5,13H,2,6H2,1H3
InChIKeyIFFWURBYQPLZNH-UHFFFAOYSA-N
XLogP3.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.18
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(hydroxymethyl)-6-iodo-1-benzothiophen-2-ol
CID 130792316
2,3-diethyl-1-benzothiophen-6-ol
CID 131191073
2-(chloromethyl)-6-iodo-3-methoxy-1-benzothiophene
CID 131076549
(5-iodo-3-sulfanyl-1-benzothiophen-2-yl)methanol
CID 131219130
3-amino-2-ethyl-1-benzothiophen-6-ol
CID 131055002
3-iododibenzothiophene
CID 86150547
3-fluoro-6-iodo-1-benzothiophen-2-ol
CID 131000547
3-chloro-6-iodo-1-benzothiophen-2-ol
CID 131119412
[2-(ethoxymethoxy)-3-[3-(ethoxymethoxy)-4-(hydroxymethyl)-7-iodonaphthalen-2-yl]-6-iodonaphthalen-1-yl]methanol
CID 176847878
3-ethyl-2-(hydroxymethyl)-1-benzothiophen-5-ol
CID 130898901
[6-(bromomethyl)-2-methyl-1-benzothiophen-3-yl]methanol
CID 131091512
2-ethyl-3-hydroxy-1-benzothiophene-6-carbonitrile
CID 130792165

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-6-iodo-1-benzothiophen-3-yl)methanol?
The IUPAC name of (2-ethyl-6-iodo-1-benzothiophen-3-yl)methanol (CID 130942154) is (2-ethyl-6-iodo-1-benzothiophen-3-yl)methanol.
What is the SMILES notation for (2-ethyl-6-iodo-1-benzothiophen-3-yl)methanol?
The canonical SMILES for (2-ethyl-6-iodo-1-benzothiophen-3-yl)methanol is CCc1sc2cc(I)ccc2c1CO.
What is the InChIKey of (2-ethyl-6-iodo-1-benzothiophen-3-yl)methanol?
The InChIKey is IFFWURBYQPLZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IOS/c1-2-10-9(6-13)8-4-3-7(12)5-11(8)14-10/h3-5,13H,2,6H2,1H3.
What are the key properties of (2-ethyl-6-iodo-1-benzothiophen-3-yl)methanol?
(2-ethyl-6-iodo-1-benzothiophen-3-yl)methanol has a molecular weight of 318.18 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-6-iodo-1-benzothiophen-3-yl)methanol is sourced from PubChem (CID 130942154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).