5-bromo-4-phenyl-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene

C19H15BrO — CID 71560353

IUPAC5-bromo-4-phenyl-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene
SMILESBrc1c(-c2ccccc2)oc2c1CCCc1ccccc1-2
InChIInChI=1S/C19H15BrO/c20-17-16-12-6-10-13-7-4-5-11-15(13)19(16)21-18(17)14-8-2-1-3-9-14/h1-5,7-9,11H,6,10,12H2
InChIKeyVDVLXJVMCZJZDE-UHFFFAOYSA-N
MW339.23 g/mol
LogP5.86
Rot. Bonds1

About 5-bromo-4-phenyl-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene

5-bromo-4-phenyl-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene (PubChem CID 71560353) has the molecular formula C19H15BrO and a molecular weight of 339.23 g/mol. Its IUPAC name is 5-bromo-4-phenyl-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene.

Molecular Properties

Compound Name5-bromo-4-phenyl-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene
PubChem CID71560353
Molecular FormulaC19H15BrO
Molecular Weight339.23 g/mol
Exact Mass338.03
IUPAC Name5-bromo-4-phenyl-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene
SMILESBrc1c(-c2ccccc2)oc2c1CCCc1ccccc1-2
InChIInChI=1S/C19H15BrO/c20-17-16-12-6-10-13-7-4-5-11-15(13)19(16)21-18(17)14-8-2-1-3-9-14/h1-5,7-9,11H,6,10,12H2
InChIKeyVDVLXJVMCZJZDE-UHFFFAOYSA-N
XLogP5.86
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.23
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-phenyl-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene?
The IUPAC name of 5-bromo-4-phenyl-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene (CID 71560353) is 5-bromo-4-phenyl-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene.
What is the SMILES notation for 5-bromo-4-phenyl-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene?
The canonical SMILES for 5-bromo-4-phenyl-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene is Brc1c(-c2ccccc2)oc2c1CCCc1ccccc1-2.
What is the InChIKey of 5-bromo-4-phenyl-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene?
The InChIKey is VDVLXJVMCZJZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrO/c20-17-16-12-6-10-13-7-4-5-11-15(13)19(16)21-18(17)14-8-2-1-3-9-14/h1-5,7-9,11H,6,10,12H2.
What are the key properties of 5-bromo-4-phenyl-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene?
5-bromo-4-phenyl-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene has a molecular weight of 339.23 g/mol, XLogP of 5.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-phenyl-3-oxatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene is sourced from PubChem (CID 71560353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).