7-ethyl-2-iodo-1-benzothiophen-3-ol

C10H9IOS — CID 130825583

IUPAC7-ethyl-2-iodo-1-benzothiophen-3-ol
SMILESCCc1cccc2c(O)c(I)sc12
InChIInChI=1S/C10H9IOS/c1-2-6-4-3-5-7-8(12)10(11)13-9(6)7/h3-5,12H,2H2,1H3
InChIKeyMMLBQLVFCWRJGX-UHFFFAOYSA-N
MW304.15 g/mol
LogP3.77
Rot. Bonds1

About 7-ethyl-2-iodo-1-benzothiophen-3-ol

7-ethyl-2-iodo-1-benzothiophen-3-ol (PubChem CID 130825583) has the molecular formula C10H9IOS and a molecular weight of 304.15 g/mol. Its IUPAC name is 7-ethyl-2-iodo-1-benzothiophen-3-ol.

Molecular Properties

Compound Name7-ethyl-2-iodo-1-benzothiophen-3-ol
PubChem CID130825583
Molecular FormulaC10H9IOS
Molecular Weight304.15 g/mol
Exact Mass303.94
IUPAC Name7-ethyl-2-iodo-1-benzothiophen-3-ol
SMILESCCc1cccc2c(O)c(I)sc12
InChIInChI=1S/C10H9IOS/c1-2-6-4-3-5-7-8(12)10(11)13-9(6)7/h3-5,12H,2H2,1H3
InChIKeyMMLBQLVFCWRJGX-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

7-ethyl-3-iodo-1-benzothiophene-2-carboxylic acid
CID 90124693
(2-iodo-3-methyl-1-benzothiophen-7-yl)methanol
CID 130914800
lithium;butane;6-ethyldibenzothiophen-4-ol
CID 87765195
ethane;4-ethyldibenzothiophene
CID 123227550
3-bromo-7-ethyl-2-methoxy-1-benzothiophene
CID 130785943
3-bromo-7-(bromomethyl)-2-iodo-1-benzothiophene
CID 130969225
1,3-diethyl-2-iodobenzene
CID 18690512
2-ethyl-6-(3-ethyl-2-hydroxyphenyl)phenol
CID 14783606
7-iodo-1-benzothiophene-2,3-diol
CID 131215768
bis(2,6-diethylphenol);1,4-xylene
CID 160641052
2,5-diethylthioxanthen-9-one
CID 18539503
(7-ethyl-2-fluoro-1-benzothiophen-4-yl)methanol
CID 131097075

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-iodo-1-benzothiophen-3-ol?
The IUPAC name of 7-ethyl-2-iodo-1-benzothiophen-3-ol (CID 130825583) is 7-ethyl-2-iodo-1-benzothiophen-3-ol.
What is the SMILES notation for 7-ethyl-2-iodo-1-benzothiophen-3-ol?
The canonical SMILES for 7-ethyl-2-iodo-1-benzothiophen-3-ol is CCc1cccc2c(O)c(I)sc12.
What is the InChIKey of 7-ethyl-2-iodo-1-benzothiophen-3-ol?
The InChIKey is MMLBQLVFCWRJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IOS/c1-2-6-4-3-5-7-8(12)10(11)13-9(6)7/h3-5,12H,2H2,1H3.
What are the key properties of 7-ethyl-2-iodo-1-benzothiophen-3-ol?
7-ethyl-2-iodo-1-benzothiophen-3-ol has a molecular weight of 304.15 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-iodo-1-benzothiophen-3-ol is sourced from PubChem (CID 130825583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).