4-ethoxy-1-benzothiophene-2,7-diol

C10H10O3S — CID 131191647

IUPAC4-ethoxy-1-benzothiophene-2,7-diol
SMILESCCOc1ccc(O)c2sc(O)cc12
InChIInChI=1S/C10H10O3S/c1-2-13-8-4-3-7(11)10-6(8)5-9(12)14-10/h3-5,11-12H,2H2,1H3
InChIKeyUHPYVASAQBUSBY-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.71
Rot. Bonds2

About 4-ethoxy-1-benzothiophene-2,7-diol

4-ethoxy-1-benzothiophene-2,7-diol (PubChem CID 131191647) has the molecular formula C10H10O3S and a molecular weight of 210.25 g/mol. Its IUPAC name is 4-ethoxy-1-benzothiophene-2,7-diol.

Molecular Properties

Compound Name4-ethoxy-1-benzothiophene-2,7-diol
PubChem CID131191647
Molecular FormulaC10H10O3S
Molecular Weight210.25 g/mol
Exact Mass210.04
IUPAC Name4-ethoxy-1-benzothiophene-2,7-diol
SMILESCCOc1ccc(O)c2sc(O)cc12
InChIInChI=1S/C10H10O3S/c1-2-13-8-4-3-7(11)10-6(8)5-9(12)14-10/h3-5,11-12H,2H2,1H3
InChIKeyUHPYVASAQBUSBY-UHFFFAOYSA-N
XLogP2.71
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-benzothiophene-2,7-diol?
The IUPAC name of 4-ethoxy-1-benzothiophene-2,7-diol (CID 131191647) is 4-ethoxy-1-benzothiophene-2,7-diol.
What is the SMILES notation for 4-ethoxy-1-benzothiophene-2,7-diol?
The canonical SMILES for 4-ethoxy-1-benzothiophene-2,7-diol is CCOc1ccc(O)c2sc(O)cc12.
What is the InChIKey of 4-ethoxy-1-benzothiophene-2,7-diol?
The InChIKey is UHPYVASAQBUSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3S/c1-2-13-8-4-3-7(11)10-6(8)5-9(12)14-10/h3-5,11-12H,2H2,1H3.
What are the key properties of 4-ethoxy-1-benzothiophene-2,7-diol?
4-ethoxy-1-benzothiophene-2,7-diol has a molecular weight of 210.25 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-benzothiophene-2,7-diol is sourced from PubChem (CID 131191647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).