(6-iodo-4-methyl-1-benzothiophen-7-yl)methanol

C10H9IOS — CID 131122786

IUPAC(6-iodo-4-methyl-1-benzothiophen-7-yl)methanol
SMILESCc1cc(I)c(CO)c2sccc12
InChIInChI=1S/C10H9IOS/c1-6-4-9(11)8(5-12)10-7(6)2-3-13-10/h2-4,12H,5H2,1H3
InChIKeyIANWQVWVBOYURA-UHFFFAOYSA-N
MW304.15 g/mol
LogP3.31
Rot. Bonds1

About (6-iodo-4-methyl-1-benzothiophen-7-yl)methanol

(6-iodo-4-methyl-1-benzothiophen-7-yl)methanol (PubChem CID 131122786) has the molecular formula C10H9IOS and a molecular weight of 304.15 g/mol. Its IUPAC name is (6-iodo-4-methyl-1-benzothiophen-7-yl)methanol.

Molecular Properties

Compound Name(6-iodo-4-methyl-1-benzothiophen-7-yl)methanol
PubChem CID131122786
Molecular FormulaC10H9IOS
Molecular Weight304.15 g/mol
Exact Mass303.94
IUPAC Name(6-iodo-4-methyl-1-benzothiophen-7-yl)methanol
SMILESCc1cc(I)c(CO)c2sccc12
InChIInChI=1S/C10H9IOS/c1-6-4-9(11)8(5-12)10-7(6)2-3-13-10/h2-4,12H,5H2,1H3
InChIKeyIANWQVWVBOYURA-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-iodo-6-methyl-1-benzothiophen-4-yl)methanol
CID 130827054
4,19-dimethyl-8,15-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),6,11,14(18),16,19-nonaene
CID 122606200
4,7-diiodo-5-methyl-1-benzothiophene
CID 130805284
(7-ethyl-6-methyl-1-benzothiophen-4-yl)methanol
CID 131002417
(6-bromo-4-sulfanyl-1-benzothiophen-7-yl)methanol
CID 130884273
6-bromo-7-(hydroxymethyl)-1-benzothiophen-4-ol
CID 131145125
2-(4-methyl-6-sulfanyl-1-benzothiophen-7-yl)acetonitrile
CID 130900275
(4-amino-7-methyl-1-benzothiophen-5-yl)methanol
CID 130956430
6-fluoro-4-methyl-1-benzothiophen-7-ol
CID 130942182
4-methyl-7-sulfanyl-1-benzothiophene-6-carboxylic acid
CID 131122817
4,6-diiodo-7-methoxy-1-benzothiophene
CID 130926208
7-(chloromethyl)-6-iodo-1-benzothiophene-4-carbonitrile
CID 130951708

Frequently Asked Questions

What is the IUPAC name of (6-iodo-4-methyl-1-benzothiophen-7-yl)methanol?
The IUPAC name of (6-iodo-4-methyl-1-benzothiophen-7-yl)methanol (CID 131122786) is (6-iodo-4-methyl-1-benzothiophen-7-yl)methanol.
What is the SMILES notation for (6-iodo-4-methyl-1-benzothiophen-7-yl)methanol?
The canonical SMILES for (6-iodo-4-methyl-1-benzothiophen-7-yl)methanol is Cc1cc(I)c(CO)c2sccc12.
What is the InChIKey of (6-iodo-4-methyl-1-benzothiophen-7-yl)methanol?
The InChIKey is IANWQVWVBOYURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IOS/c1-6-4-9(11)8(5-12)10-7(6)2-3-13-10/h2-4,12H,5H2,1H3.
What are the key properties of (6-iodo-4-methyl-1-benzothiophen-7-yl)methanol?
(6-iodo-4-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 (6-iodo-4-methyl-1-benzothiophen-7-yl)methanol is sourced from PubChem (CID 131122786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).