6,7-dichloro-5-methoxy-2-oxabicyclo[2.2.2]octa-1(7),4(8),5-triene

C8H6Cl2O2 — CID 155162644

IUPAC6,7-dichloro-5-methoxy-2-oxabicyclo[2.2.2]octa-1(7),4(8),5-triene
SMILESCOc1c2cc(Cl)c(c1Cl)OC2
InChIInChI=1S/C8H6Cl2O2/c1-11-7-4-2-5(9)8(6(7)10)12-3-4/h2H,3H2,1H3
InChIKeyXYXUGLNWSJSTSX-UHFFFAOYSA-N
MW205.04 g/mol
LogP2.89
Rot. Bonds1

About 6,7-dichloro-5-methoxy-2-oxabicyclo[2.2.2]octa-1(7),4(8),5-triene

6,7-dichloro-5-methoxy-2-oxabicyclo[2.2.2]octa-1(7),4(8),5-triene (PubChem CID 155162644) has the molecular formula C8H6Cl2O2 and a molecular weight of 205.04 g/mol. Its IUPAC name is 6,7-dichloro-5-methoxy-2-oxabicyclo[2.2.2]octa-1(7),4(8),5-triene.

Molecular Properties

Compound Name6,7-dichloro-5-methoxy-2-oxabicyclo[2.2.2]octa-1(7),4(8),5-triene
PubChem CID155162644
Molecular FormulaC8H6Cl2O2
Molecular Weight205.04 g/mol
Exact Mass203.97
IUPAC Name6,7-dichloro-5-methoxy-2-oxabicyclo[2.2.2]octa-1(7),4(8),5-triene
SMILESCOc1c2cc(Cl)c(c1Cl)OC2
InChIInChI=1S/C8H6Cl2O2/c1-11-7-4-2-5(9)8(6(7)10)12-3-4/h2H,3H2,1H3
InChIKeyXYXUGLNWSJSTSX-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.04
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-5-methoxy-2-oxabicyclo[2.2.2]octa-1(7),4(8),5-triene?
The IUPAC name of 6,7-dichloro-5-methoxy-2-oxabicyclo[2.2.2]octa-1(7),4(8),5-triene (CID 155162644) is 6,7-dichloro-5-methoxy-2-oxabicyclo[2.2.2]octa-1(7),4(8),5-triene.
What is the SMILES notation for 6,7-dichloro-5-methoxy-2-oxabicyclo[2.2.2]octa-1(7),4(8),5-triene?
The canonical SMILES for 6,7-dichloro-5-methoxy-2-oxabicyclo[2.2.2]octa-1(7),4(8),5-triene is COc1c2cc(Cl)c(c1Cl)OC2.
What is the InChIKey of 6,7-dichloro-5-methoxy-2-oxabicyclo[2.2.2]octa-1(7),4(8),5-triene?
The InChIKey is XYXUGLNWSJSTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O2/c1-11-7-4-2-5(9)8(6(7)10)12-3-4/h2H,3H2,1H3.
What are the key properties of 6,7-dichloro-5-methoxy-2-oxabicyclo[2.2.2]octa-1(7),4(8),5-triene?
6,7-dichloro-5-methoxy-2-oxabicyclo[2.2.2]octa-1(7),4(8),5-triene has a molecular weight of 205.04 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-5-methoxy-2-oxabicyclo[2.2.2]octa-1(7),4(8),5-triene is sourced from PubChem (CID 155162644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).