(2-iodo-6-methyl-1-benzothiophen-7-yl)methanol

C10H9IOS — CID 131124401

IUPAC(2-iodo-6-methyl-1-benzothiophen-7-yl)methanol
SMILESCc1ccc2cc(I)sc2c1CO
InChIInChI=1S/C10H9IOS/c1-6-2-3-7-4-9(11)13-10(7)8(6)5-12/h2-4,12H,5H2,1H3
InChIKeyOLNCSHMUCANIOU-UHFFFAOYSA-N
MW304.15 g/mol
LogP3.31
Rot. Bonds1

About (2-iodo-6-methyl-1-benzothiophen-7-yl)methanol

(2-iodo-6-methyl-1-benzothiophen-7-yl)methanol (PubChem CID 131124401) has the molecular formula C10H9IOS and a molecular weight of 304.15 g/mol. Its IUPAC name is (2-iodo-6-methyl-1-benzothiophen-7-yl)methanol.

Molecular Properties

Compound Name(2-iodo-6-methyl-1-benzothiophen-7-yl)methanol
PubChem CID131124401
Molecular FormulaC10H9IOS
Molecular Weight304.15 g/mol
Exact Mass303.94
IUPAC Name(2-iodo-6-methyl-1-benzothiophen-7-yl)methanol
SMILESCc1ccc2cc(I)sc2c1CO
InChIInChI=1S/C10H9IOS/c1-6-2-3-7-4-9(11)13-10(7)8(6)5-12/h2-4,12H,5H2,1H3
InChIKeyOLNCSHMUCANIOU-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 53.31
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 (2-iodo-6-methyl-1-benzothiophen-7-yl)methanol?
The IUPAC name of (2-iodo-6-methyl-1-benzothiophen-7-yl)methanol (CID 131124401) is (2-iodo-6-methyl-1-benzothiophen-7-yl)methanol.
What is the SMILES notation for (2-iodo-6-methyl-1-benzothiophen-7-yl)methanol?
The canonical SMILES for (2-iodo-6-methyl-1-benzothiophen-7-yl)methanol is Cc1ccc2cc(I)sc2c1CO.
What is the InChIKey of (2-iodo-6-methyl-1-benzothiophen-7-yl)methanol?
The InChIKey is OLNCSHMUCANIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IOS/c1-6-2-3-7-4-9(11)13-10(7)8(6)5-12/h2-4,12H,5H2,1H3.
What are the key properties of (2-iodo-6-methyl-1-benzothiophen-7-yl)methanol?
(2-iodo-6-methyl-1-benzothiophen-7-yl)methanol has a molecular weight of 304.15 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodo-6-methyl-1-benzothiophen-7-yl)methanol is sourced from PubChem (CID 131124401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).