2,6-dimethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene

C8H8O3 — CID 22241745

IUPAC2,6-dimethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
SMILESCOc1cc2cc(OC)c1o2
InChIInChI=1S/C8H8O3/c1-9-6-3-5-4-7(10-2)8(6)11-5/h3-4H,1-2H3
InChIKeyMJTCBJUSKONKGC-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.89
Rot. Bonds2

About 2,6-dimethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene

2,6-dimethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene (PubChem CID 22241745) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2,6-dimethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene.

Molecular Properties

Compound Name2,6-dimethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
PubChem CID22241745
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name2,6-dimethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
SMILESCOc1cc2cc(OC)c1o2
InChIInChI=1S/C8H8O3/c1-9-6-3-5-4-7(10-2)8(6)11-5/h3-4H,1-2H3
InChIKeyMJTCBJUSKONKGC-UHFFFAOYSA-N
XLogP1.89
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
The IUPAC name of 2,6-dimethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene (CID 22241745) is 2,6-dimethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene.
What is the SMILES notation for 2,6-dimethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
The canonical SMILES for 2,6-dimethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene is COc1cc2cc(OC)c1o2.
What is the InChIKey of 2,6-dimethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
The InChIKey is MJTCBJUSKONKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c1-9-6-3-5-4-7(10-2)8(6)11-5/h3-4H,1-2H3.
What are the key properties of 2,6-dimethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene?
2,6-dimethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene has a molecular weight of 152.15 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-7-oxabicyclo[2.2.1]hepta-1,3,5-triene is sourced from PubChem (CID 22241745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).