4,12-dibromo-8,16,17-trioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene

C14H8Br2O3 — CID 3810367

IUPAC4,12-dibromo-8,16,17-trioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
SMILESBrc1ccc2c(c1)C1Oc3ccc(Br)cc3C(O2)O1
InChIInChI=1S/C14H8Br2O3/c15-7-1-3-11-9(5-7)13-18-12-4-2-8(16)6-10(12)14(17-11)19-13/h1-6,13-14H
InChIKeyWFDANGIGTVZSIQ-UHFFFAOYSA-N
MW384.02 g/mol
LogP4.71
Rot. Bonds

About 4,12-dibromo-8,16,17-trioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene

4,12-dibromo-8,16,17-trioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene (PubChem CID 3810367) has the molecular formula C14H8Br2O3 and a molecular weight of 384.02 g/mol. Its IUPAC name is 4,12-dibromo-8,16,17-trioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene.

Molecular Properties

Compound Name4,12-dibromo-8,16,17-trioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
PubChem CID3810367
Molecular FormulaC14H8Br2O3
Molecular Weight384.02 g/mol
Exact Mass381.88
IUPAC Name4,12-dibromo-8,16,17-trioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
SMILESBrc1ccc2c(c1)C1Oc3ccc(Br)cc3C(O2)O1
InChIInChI=1S/C14H8Br2O3/c15-7-1-3-11-9(5-7)13-18-12-4-2-8(16)6-10(12)14(17-11)19-13/h1-6,13-14H
InChIKeyWFDANGIGTVZSIQ-UHFFFAOYSA-N
XLogP4.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.02
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,12-dibromo-8,16,17-trioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene?
The IUPAC name of 4,12-dibromo-8,16,17-trioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene (CID 3810367) is 4,12-dibromo-8,16,17-trioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene.
What is the SMILES notation for 4,12-dibromo-8,16,17-trioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene?
The canonical SMILES for 4,12-dibromo-8,16,17-trioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene is Brc1ccc2c(c1)C1Oc3ccc(Br)cc3C(O2)O1.
What is the InChIKey of 4,12-dibromo-8,16,17-trioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene?
The InChIKey is WFDANGIGTVZSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2O3/c15-7-1-3-11-9(5-7)13-18-12-4-2-8(16)6-10(12)14(17-11)19-13/h1-6,13-14H.
What are the key properties of 4,12-dibromo-8,16,17-trioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene?
4,12-dibromo-8,16,17-trioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene has a molecular weight of 384.02 g/mol, XLogP of 4.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,12-dibromo-8,16,17-trioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene is sourced from PubChem (CID 3810367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).