6,8-dichloro-3-oxabicyclo[3.2.2]nona-1(7),5,8-triene

C8H6Cl2O — CID 175432366

IUPAC6,8-dichloro-3-oxabicyclo[3.2.2]nona-1(7),5,8-triene
SMILESClc1cc2c(Cl)cc1COC2
InChIInChI=1S/C8H6Cl2O/c9-7-1-5-3-11-4-6(7)2-8(5)10/h1-2H,3-4H2
InChIKeyFIHAJYADPVSFAT-UHFFFAOYSA-N
MW189.04 g/mol
LogP3.02
Rot. Bonds

About 6,8-dichloro-3-oxabicyclo[3.2.2]nona-1(7),5,8-triene

6,8-dichloro-3-oxabicyclo[3.2.2]nona-1(7),5,8-triene (PubChem CID 175432366) has the molecular formula C8H6Cl2O and a molecular weight of 189.04 g/mol. Its IUPAC name is 6,8-dichloro-3-oxabicyclo[3.2.2]nona-1(7),5,8-triene.

Molecular Properties

Compound Name6,8-dichloro-3-oxabicyclo[3.2.2]nona-1(7),5,8-triene
PubChem CID175432366
Molecular FormulaC8H6Cl2O
Molecular Weight189.04 g/mol
Exact Mass187.98
IUPAC Name6,8-dichloro-3-oxabicyclo[3.2.2]nona-1(7),5,8-triene
SMILESClc1cc2c(Cl)cc1COC2
InChIInChI=1S/C8H6Cl2O/c9-7-1-5-3-11-4-6(7)2-8(5)10/h1-2H,3-4H2
InChIKeyFIHAJYADPVSFAT-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.04
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-6-iodo-1,3-dihydro-2-benzofuran
CID 166545060
6,7-dichloro-4H-1,3-benzodioxine
CID 90695645
4-bromo-6-chloro-1,3-dihydro-2-benzofuran-5-amine
CID 164912930
5,6-dimethyl-1,3-dihydro-2-benzofuran
CID 59964418
5-chloro-1,3-dihydro-2-benzofuran-4-ol
CID 122620490
1,3-dihydrobenzo[f][2]benzofuran
CID 15555103
O-[(6-chloro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine
CID 117307236
5-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,3-dihydro-2-benzofuran
CID 107991858
1,3-dihydro-2-benzofuran-5,6-dicarbaldehyde
CID 130026369
5-chloro-1H-isochromen-4-imine
CID 134228298
2-(6-chloro-4H-1,3-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 117358844
(2-chlorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 63021648

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-3-oxabicyclo[3.2.2]nona-1(7),5,8-triene?
The IUPAC name of 6,8-dichloro-3-oxabicyclo[3.2.2]nona-1(7),5,8-triene (CID 175432366) is 6,8-dichloro-3-oxabicyclo[3.2.2]nona-1(7),5,8-triene.
What is the SMILES notation for 6,8-dichloro-3-oxabicyclo[3.2.2]nona-1(7),5,8-triene?
The canonical SMILES for 6,8-dichloro-3-oxabicyclo[3.2.2]nona-1(7),5,8-triene is Clc1cc2c(Cl)cc1COC2.
What is the InChIKey of 6,8-dichloro-3-oxabicyclo[3.2.2]nona-1(7),5,8-triene?
The InChIKey is FIHAJYADPVSFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O/c9-7-1-5-3-11-4-6(7)2-8(5)10/h1-2H,3-4H2.
What are the key properties of 6,8-dichloro-3-oxabicyclo[3.2.2]nona-1(7),5,8-triene?
6,8-dichloro-3-oxabicyclo[3.2.2]nona-1(7),5,8-triene has a molecular weight of 189.04 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-3-oxabicyclo[3.2.2]nona-1(7),5,8-triene is sourced from PubChem (CID 175432366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).