5-ethoxy-6-iodo-1-benzothiophen-2-ol

C10H9IO2S — CID 131096884

IUPAC5-ethoxy-6-iodo-1-benzothiophen-2-ol
SMILESCCOc1cc2cc(O)sc2cc1I
InChIInChI=1S/C10H9IO2S/c1-2-13-8-3-6-4-10(12)14-9(6)5-7(8)11/h3-5,12H,2H2,1H3
InChIKeyBHKGZMRPLYZKFG-UHFFFAOYSA-N
MW320.15 g/mol
LogP3.61
Rot. Bonds2

About 5-ethoxy-6-iodo-1-benzothiophen-2-ol

5-ethoxy-6-iodo-1-benzothiophen-2-ol (PubChem CID 131096884) has the molecular formula C10H9IO2S and a molecular weight of 320.15 g/mol. Its IUPAC name is 5-ethoxy-6-iodo-1-benzothiophen-2-ol.

Molecular Properties

Compound Name5-ethoxy-6-iodo-1-benzothiophen-2-ol
PubChem CID131096884
Molecular FormulaC10H9IO2S
Molecular Weight320.15 g/mol
Exact Mass319.94
IUPAC Name5-ethoxy-6-iodo-1-benzothiophen-2-ol
SMILESCCOc1cc2cc(O)sc2cc1I
InChIInChI=1S/C10H9IO2S/c1-2-13-8-3-6-4-10(12)14-9(6)5-7(8)11/h3-5,12H,2H2,1H3
InChIKeyBHKGZMRPLYZKFG-UHFFFAOYSA-N
XLogP3.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5,6-diethyl-1-benzothiophen-2-ol
CID 131091620
6-chloro-5-methoxy-1-benzothiophen-2-ol
CID 131034383
4-amino-5-ethoxy-1-benzothiophen-2-ol
CID 130941853
7-ethoxy-5-sulfanyl-1-benzothiophen-2-ol
CID 131146482
6-ethyl-5-(hydroxymethyl)-1-benzothiophen-2-ol
CID 131197603
3-ethoxy-5-iodo-1-benzothiophen-6-ol
CID 130985683
2-ethoxy-6-iodo-4-methylphenol
CID 131395873
5-ethoxy-4-iodopyridin-2-amine
CID 135394505
4-ethoxy-1-benzothiophene-2,7-diol
CID 131191647
2-bromo-5-chloro-6-ethoxy-1-benzothiophene
CID 131053420
ethyl 5-ethoxy-4-iodo-2-methylbenzoate
CID 162352683
5-amino-6-ethoxy-1-benzothiophene-2-thiol
CID 131054042

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-6-iodo-1-benzothiophen-2-ol?
The IUPAC name of 5-ethoxy-6-iodo-1-benzothiophen-2-ol (CID 131096884) is 5-ethoxy-6-iodo-1-benzothiophen-2-ol.
What is the SMILES notation for 5-ethoxy-6-iodo-1-benzothiophen-2-ol?
The canonical SMILES for 5-ethoxy-6-iodo-1-benzothiophen-2-ol is CCOc1cc2cc(O)sc2cc1I.
What is the InChIKey of 5-ethoxy-6-iodo-1-benzothiophen-2-ol?
The InChIKey is BHKGZMRPLYZKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IO2S/c1-2-13-8-3-6-4-10(12)14-9(6)5-7(8)11/h3-5,12H,2H2,1H3.
What are the key properties of 5-ethoxy-6-iodo-1-benzothiophen-2-ol?
5-ethoxy-6-iodo-1-benzothiophen-2-ol has a molecular weight of 320.15 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-6-iodo-1-benzothiophen-2-ol is sourced from PubChem (CID 131096884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).