(5-iodo-6-methyl-1-benzothiophen-4-yl)methanol

C10H9IOS — CID 130827054

IUPAC(5-iodo-6-methyl-1-benzothiophen-4-yl)methanol
SMILESCc1cc2sccc2c(CO)c1I
InChIInChI=1S/C10H9IOS/c1-6-4-9-7(2-3-13-9)8(5-12)10(6)11/h2-4,12H,5H2,1H3
InChIKeyOVFYQVCBGQISCF-UHFFFAOYSA-N
MW304.15 g/mol
LogP3.31
Rot. Bonds1

About (5-iodo-6-methyl-1-benzothiophen-4-yl)methanol

(5-iodo-6-methyl-1-benzothiophen-4-yl)methanol (PubChem CID 130827054) has the molecular formula C10H9IOS and a molecular weight of 304.15 g/mol. Its IUPAC name is (5-iodo-6-methyl-1-benzothiophen-4-yl)methanol.

Molecular Properties

Compound Name(5-iodo-6-methyl-1-benzothiophen-4-yl)methanol
PubChem CID130827054
Molecular FormulaC10H9IOS
Molecular Weight304.15 g/mol
Exact Mass303.94
IUPAC Name(5-iodo-6-methyl-1-benzothiophen-4-yl)methanol
SMILESCc1cc2sccc2c(CO)c1I
InChIInChI=1S/C10H9IOS/c1-6-4-9-7(2-3-13-9)8(5-12)10(6)11/h2-4,12H,5H2,1H3
InChIKeyOVFYQVCBGQISCF-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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Related Compounds

5-ethyl-4-iodo-6-methyl-1-benzothiophene
CID 130827103
(5-methyl-6-methylsulfanyl-1-benzothiophen-4-yl)methanol
CID 130985925
(6-iodo-4-methyl-1-benzothiophen-7-yl)methanol
CID 131122786
(5-ethyl-6-sulfanyl-1-benzothiophen-4-yl)methanol
CID 131001484
4-(hydroxymethyl)-5-sulfanyl-1-benzothiophen-6-ol
CID 131057551
(6-amino-5-bromo-1-benzothiophen-4-yl)methanol
CID 130805448
5-(hydroxymethyl)-1-benzothiophene-4,6-diol
CID 130969866
4-(bromomethyl)-5-ethyl-6-methyl-1-benzothiophene
CID 130956540
5-bromo-4-(chloromethyl)-6-methyl-1-benzothiophene
CID 131031310
5,6-diiodo-4-methyl-1-benzothiophene
CID 130969316
4-ethyl-6-(hydroxymethyl)-1-benzothiophen-5-ol
CID 131196602
4-iodo-5-methyl-1-benzothiophene
CID 146622274

Frequently Asked Questions

What is the IUPAC name of (5-iodo-6-methyl-1-benzothiophen-4-yl)methanol?
The IUPAC name of (5-iodo-6-methyl-1-benzothiophen-4-yl)methanol (CID 130827054) is (5-iodo-6-methyl-1-benzothiophen-4-yl)methanol.
What is the SMILES notation for (5-iodo-6-methyl-1-benzothiophen-4-yl)methanol?
The canonical SMILES for (5-iodo-6-methyl-1-benzothiophen-4-yl)methanol is Cc1cc2sccc2c(CO)c1I.
What is the InChIKey of (5-iodo-6-methyl-1-benzothiophen-4-yl)methanol?
The InChIKey is OVFYQVCBGQISCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IOS/c1-6-4-9-7(2-3-13-9)8(5-12)10(6)11/h2-4,12H,5H2,1H3.
What are the key properties of (5-iodo-6-methyl-1-benzothiophen-4-yl)methanol?
(5-iodo-6-methyl-1-benzothiophen-4-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 (5-iodo-6-methyl-1-benzothiophen-4-yl)methanol is sourced from PubChem (CID 130827054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).