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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Related Compounds

(1S)-2-phenylbicyclo[2.2.1]hept-2-ene
CID 91330733
(1S,4S,5S,8S)-2,4,6,8-tetraphenylbicyclo[3.3.1]nona-2,6-diene
CID 11122751
benzene;cyclopropylbenzene
CID 144638417
(1S,4S,5R,8R)-2,4,8-triphenylbicyclo[3.3.1]nona-2,6-diene
CID 95931340
8-phenylbicyclo[3.2.2]non-8-en-6-ol
CID 68719725
2,3-diphenylbicyclo[2.2.1]hept-2-ene
CID 14908753
(1R,5R)-2,6-diphenylbicyclo[3.3.2]deca-2,6-diene
CID 102399204
(2-phenylcycloprop-2-en-1-yl)benzene
CID 12828641
(1R,4S)-3,4-diphenylcyclopent-2-en-1-ol
CID 92533373
1-phenyl-4-(3-phenylcyclopropen-1-yl)benzene
CID 142424685
1,1'-biphenyl;cyclohexylbenzene
CID 141106050
3,4-diphenyltricyclo[4.2.1.02,5]non-3-ene
CID 85345194

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).