2-ethoxy-2H-pyran-3,4-diol

C7H10O4 — CID 70378262

IUPAC2-ethoxy-2H-pyran-3,4-diol
SMILESCCOC1OC=CC(O)=C1O
InChIInChI=1S/C7H10O4/c1-2-10-7-6(9)5(8)3-4-11-7/h3-4,7-9H,2H2,1H3
InChIKeyMAYZGNRYFNHPEM-UHFFFAOYSA-N
MW158.15 g/mol
LogP1.22
Rot. Bonds2

About 2-ethoxy-2H-pyran-3,4-diol

2-ethoxy-2H-pyran-3,4-diol (PubChem CID 70378262) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 2-ethoxy-2H-pyran-3,4-diol.

Molecular Properties

Compound Name2-ethoxy-2H-pyran-3,4-diol
PubChem CID70378262
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name2-ethoxy-2H-pyran-3,4-diol
SMILESCCOC1OC=CC(O)=C1O
InChIInChI=1S/C7H10O4/c1-2-10-7-6(9)5(8)3-4-11-7/h3-4,7-9H,2H2,1H3
InChIKeyMAYZGNRYFNHPEM-UHFFFAOYSA-N
XLogP1.22
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2H-pyran-3,4-diol?
The IUPAC name of 2-ethoxy-2H-pyran-3,4-diol (CID 70378262) is 2-ethoxy-2H-pyran-3,4-diol.
What is the SMILES notation for 2-ethoxy-2H-pyran-3,4-diol?
The canonical SMILES for 2-ethoxy-2H-pyran-3,4-diol is CCOC1OC=CC(O)=C1O.
What is the InChIKey of 2-ethoxy-2H-pyran-3,4-diol?
The InChIKey is MAYZGNRYFNHPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-2-10-7-6(9)5(8)3-4-11-7/h3-4,7-9H,2H2,1H3.
What are the key properties of 2-ethoxy-2H-pyran-3,4-diol?
2-ethoxy-2H-pyran-3,4-diol has a molecular weight of 158.15 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2H-pyran-3,4-diol is sourced from PubChem (CID 70378262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).