2-ethoxy-6-methoxy-7-oxabicyclo[2.2.1]hepta-1(6),2,4-triene

C9H10O3 — CID 22637277

IUPAC2-ethoxy-6-methoxy-7-oxabicyclo[2.2.1]hepta-1(6),2,4-triene
SMILESCCOc1cc2cc(OC)c1o2
InChIInChI=1S/C9H10O3/c1-3-11-8-5-6-4-7(10-2)9(8)12-6/h4-5H,3H2,1-2H3
InChIKeyLVKWETQHJRWAQQ-UHFFFAOYSA-N
MW166.18 g/mol
LogP2.28
Rot. Bonds3

About 2-ethoxy-6-methoxy-7-oxabicyclo[2.2.1]hepta-1(6),2,4-triene

2-ethoxy-6-methoxy-7-oxabicyclo[2.2.1]hepta-1(6),2,4-triene (PubChem CID 22637277) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-ethoxy-6-methoxy-7-oxabicyclo[2.2.1]hepta-1(6),2,4-triene.

Molecular Properties

Compound Name2-ethoxy-6-methoxy-7-oxabicyclo[2.2.1]hepta-1(6),2,4-triene
PubChem CID22637277
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name2-ethoxy-6-methoxy-7-oxabicyclo[2.2.1]hepta-1(6),2,4-triene
SMILESCCOc1cc2cc(OC)c1o2
InChIInChI=1S/C9H10O3/c1-3-11-8-5-6-4-7(10-2)9(8)12-6/h4-5H,3H2,1-2H3
InChIKeyLVKWETQHJRWAQQ-UHFFFAOYSA-N
XLogP2.28
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-methoxy-7-oxabicyclo[2.2.1]hepta-1(6),2,4-triene?
The IUPAC name of 2-ethoxy-6-methoxy-7-oxabicyclo[2.2.1]hepta-1(6),2,4-triene (CID 22637277) is 2-ethoxy-6-methoxy-7-oxabicyclo[2.2.1]hepta-1(6),2,4-triene.
What is the SMILES notation for 2-ethoxy-6-methoxy-7-oxabicyclo[2.2.1]hepta-1(6),2,4-triene?
The canonical SMILES for 2-ethoxy-6-methoxy-7-oxabicyclo[2.2.1]hepta-1(6),2,4-triene is CCOc1cc2cc(OC)c1o2.
What is the InChIKey of 2-ethoxy-6-methoxy-7-oxabicyclo[2.2.1]hepta-1(6),2,4-triene?
The InChIKey is LVKWETQHJRWAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-3-11-8-5-6-4-7(10-2)9(8)12-6/h4-5H,3H2,1-2H3.
What are the key properties of 2-ethoxy-6-methoxy-7-oxabicyclo[2.2.1]hepta-1(6),2,4-triene?
2-ethoxy-6-methoxy-7-oxabicyclo[2.2.1]hepta-1(6),2,4-triene has a molecular weight of 166.18 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-methoxy-7-oxabicyclo[2.2.1]hepta-1(6),2,4-triene is sourced from PubChem (CID 22637277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).