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

C11H11IOS — CID 130816909

IUPAC(5-ethyl-3-iodo-1-benzothiophen-6-yl)methanol
SMILESCCc1cc2c(I)csc2cc1CO
InChIInChI=1S/C11H11IOS/c1-2-7-3-9-10(12)6-14-11(9)4-8(7)5-13/h3-4,6,13H,2,5H2,1H3
InChIKeyIZAUDLLCKOZGSK-UHFFFAOYSA-N
MW318.18 g/mol
LogP3.56
Rot. Bonds2

About (5-ethyl-3-iodo-1-benzothiophen-6-yl)methanol

(5-ethyl-3-iodo-1-benzothiophen-6-yl)methanol (PubChem CID 130816909) has the molecular formula C11H11IOS and a molecular weight of 318.18 g/mol. Its IUPAC name is (5-ethyl-3-iodo-1-benzothiophen-6-yl)methanol.

Molecular Properties

Compound Name(5-ethyl-3-iodo-1-benzothiophen-6-yl)methanol
PubChem CID130816909
Molecular FormulaC11H11IOS
Molecular Weight318.18 g/mol
Exact Mass317.96
IUPAC Name(5-ethyl-3-iodo-1-benzothiophen-6-yl)methanol
SMILESCCc1cc2c(I)csc2cc1CO
InChIInChI=1S/C11H11IOS/c1-2-7-3-9-10(12)6-14-11(9)4-8(7)5-13/h3-4,6,13H,2,5H2,1H3
InChIKeyIZAUDLLCKOZGSK-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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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-3-iodo-1-benzothiophen-6-yl)methanol?
The IUPAC name of (5-ethyl-3-iodo-1-benzothiophen-6-yl)methanol (CID 130816909) is (5-ethyl-3-iodo-1-benzothiophen-6-yl)methanol.
What is the SMILES notation for (5-ethyl-3-iodo-1-benzothiophen-6-yl)methanol?
The canonical SMILES for (5-ethyl-3-iodo-1-benzothiophen-6-yl)methanol is CCc1cc2c(I)csc2cc1CO.
What is the InChIKey of (5-ethyl-3-iodo-1-benzothiophen-6-yl)methanol?
The InChIKey is IZAUDLLCKOZGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IOS/c1-2-7-3-9-10(12)6-14-11(9)4-8(7)5-13/h3-4,6,13H,2,5H2,1H3.
What are the key properties of (5-ethyl-3-iodo-1-benzothiophen-6-yl)methanol?
(5-ethyl-3-iodo-1-benzothiophen-6-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 (5-ethyl-3-iodo-1-benzothiophen-6-yl)methanol is sourced from PubChem (CID 130816909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).