2-phenyltricyclo[3.2.1.02,4]oct-6-ene

C14H14 — CID 72795996

IUPAC2-phenyltricyclo[3.2.1.02,4]oct-6-ene
SMILESC1=CC2CC1C1CC21c1ccccc1
InChIInChI=1S/C14H14/c1-2-4-11(5-3-1)14-9-13(14)10-6-7-12(14)8-10/h1-7,10,12-13H,8-9H2
InChIKeyGPNRWNMRTZVHAX-UHFFFAOYSA-N
MW182.27 g/mol
LogP3.15
Rot. Bonds1

About 2-phenyltricyclo[3.2.1.02,4]oct-6-ene

2-phenyltricyclo[3.2.1.02,4]oct-6-ene (PubChem CID 72795996) has the molecular formula C14H14 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-phenyltricyclo[3.2.1.02,4]oct-6-ene.

Molecular Properties

Compound Name2-phenyltricyclo[3.2.1.02,4]oct-6-ene
PubChem CID72795996
Molecular FormulaC14H14
Molecular Weight182.27 g/mol
Exact Mass182.11
IUPAC Name2-phenyltricyclo[3.2.1.02,4]oct-6-ene
SMILESC1=CC2CC1C1CC21c1ccccc1
InChIInChI=1S/C14H14/c1-2-4-11(5-3-1)14-9-13(14)10-6-7-12(14)8-10/h1-7,10,12-13H,8-9H2
InChIKeyGPNRWNMRTZVHAX-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyltricyclo[3.2.1.02,4]oct-6-ene?
The IUPAC name of 2-phenyltricyclo[3.2.1.02,4]oct-6-ene (CID 72795996) is 2-phenyltricyclo[3.2.1.02,4]oct-6-ene.
What is the SMILES notation for 2-phenyltricyclo[3.2.1.02,4]oct-6-ene?
The canonical SMILES for 2-phenyltricyclo[3.2.1.02,4]oct-6-ene is C1=CC2CC1C1CC21c1ccccc1.
What is the InChIKey of 2-phenyltricyclo[3.2.1.02,4]oct-6-ene?
The InChIKey is GPNRWNMRTZVHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14/c1-2-4-11(5-3-1)14-9-13(14)10-6-7-12(14)8-10/h1-7,10,12-13H,8-9H2.
What are the key properties of 2-phenyltricyclo[3.2.1.02,4]oct-6-ene?
2-phenyltricyclo[3.2.1.02,4]oct-6-ene has a molecular weight of 182.27 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyltricyclo[3.2.1.02,4]oct-6-ene is sourced from PubChem (CID 72795996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).