2,4-diphenylbicyclo[3.2.1]oct-2-ene

C20H20 — CID 71394656

IUPAC2,4-diphenylbicyclo[3.2.1]oct-2-ene
SMILESC1=C(c2ccccc2)C2CCC(C2)C1c1ccccc1
InChIInChI=1S/C20H20/c1-3-7-15(8-4-1)19-14-20(16-9-5-2-6-10-16)18-12-11-17(19)13-18/h1-10,14,17-19H,11-13H2
InChIKeyMULDKADERZVZKU-UHFFFAOYSA-N
MW260.38 g/mol
LogP5.28
Rot. Bonds2

About 2,4-diphenylbicyclo[3.2.1]oct-2-ene

2,4-diphenylbicyclo[3.2.1]oct-2-ene (PubChem CID 71394656) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2,4-diphenylbicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name2,4-diphenylbicyclo[3.2.1]oct-2-ene
PubChem CID71394656
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Name2,4-diphenylbicyclo[3.2.1]oct-2-ene
SMILESC1=C(c2ccccc2)C2CCC(C2)C1c1ccccc1
InChIInChI=1S/C20H20/c1-3-7-15(8-4-1)19-14-20(16-9-5-2-6-10-16)18-12-11-17(19)13-18/h1-10,14,17-19H,11-13H2
InChIKeyMULDKADERZVZKU-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.38
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenylbicyclo[3.2.1]oct-2-ene?
The IUPAC name of 2,4-diphenylbicyclo[3.2.1]oct-2-ene (CID 71394656) is 2,4-diphenylbicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 2,4-diphenylbicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 2,4-diphenylbicyclo[3.2.1]oct-2-ene is C1=C(c2ccccc2)C2CCC(C2)C1c1ccccc1.
What is the InChIKey of 2,4-diphenylbicyclo[3.2.1]oct-2-ene?
The InChIKey is MULDKADERZVZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20/c1-3-7-15(8-4-1)19-14-20(16-9-5-2-6-10-16)18-12-11-17(19)13-18/h1-10,14,17-19H,11-13H2.
What are the key properties of 2,4-diphenylbicyclo[3.2.1]oct-2-ene?
2,4-diphenylbicyclo[3.2.1]oct-2-ene has a molecular weight of 260.38 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenylbicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 71394656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).