(1S,9R)-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 1226589

IUPAC(1S,9R)-4,12-dibromo-8,16,17-trioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
SMILESBrc1ccc2c(c1)[C@@H]1Oc3ccc(Br)cc3[C@@H](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/t13-,14+
InChIKeyWFDANGIGTVZSIQ-OKILXGFUSA-N
MW384.02 g/mol
LogP4.71
Rot. Bonds

About (1S,9R)-4,12-dibromo-8,16,17-trioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene

(1S,9R)-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 1226589) has the molecular formula C14H8Br2O3 and a molecular weight of 384.02 g/mol. Its IUPAC name is (1S,9R)-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 Name(1S,9R)-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 CID1226589
Molecular FormulaC14H8Br2O3
Molecular Weight384.02 g/mol
Exact Mass381.88
IUPAC Name(1S,9R)-4,12-dibromo-8,16,17-trioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
SMILESBrc1ccc2c(c1)[C@@H]1Oc3ccc(Br)cc3[C@@H](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/t13-,14+
InChIKeyWFDANGIGTVZSIQ-OKILXGFUSA-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

Analyze (1S,9R)-4,12-dibromo-8,16,17-trioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene with MolForge

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Related Compounds

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(4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-ol
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(4S)-6-bromo-2-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947173
4,12-dibromo-6,14-dimethyl-8,16,17-trioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 66829012
5-bromo-2-fluoro-1,3-benzodioxole
CID 143412391
(2R,4S)-6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
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6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
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Frequently Asked Questions

What is the IUPAC name of (1S,9R)-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 (1S,9R)-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 1226589) is (1S,9R)-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 (1S,9R)-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 (1S,9R)-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)[C@@H]1Oc3ccc(Br)cc3[C@@H](O2)O1.
What is the InChIKey of (1S,9R)-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-OKILXGFUSA-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/t13-,14+.
What are the key properties of (1S,9R)-4,12-dibromo-8,16,17-trioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene?
(1S,9R)-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 (1S,9R)-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 1226589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).