3-phenyltricyclo[5.2.1.02,6]deca-3,8-diene

C16H16 — CID 75242817

IUPAC3-phenyltricyclo[5.2.1.02,6]deca-3,8-diene
SMILESC1=CC2CC1C1CC=C(c3ccccc3)C21
InChIInChI=1S/C16H16/c1-2-4-11(5-3-1)14-8-9-15-12-6-7-13(10-12)16(14)15/h1-8,12-13,15-16H,9-10H2
InChIKeyGNQXMPSPMMWTKI-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.91
Rot. Bonds1

About 3-phenyltricyclo[5.2.1.02,6]deca-3,8-diene

3-phenyltricyclo[5.2.1.02,6]deca-3,8-diene (PubChem CID 75242817) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-phenyltricyclo[5.2.1.02,6]deca-3,8-diene.

Molecular Properties

Compound Name3-phenyltricyclo[5.2.1.02,6]deca-3,8-diene
PubChem CID75242817
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name3-phenyltricyclo[5.2.1.02,6]deca-3,8-diene
SMILESC1=CC2CC1C1CC=C(c3ccccc3)C21
InChIInChI=1S/C16H16/c1-2-4-11(5-3-1)14-8-9-15-12-6-7-13(10-12)16(14)15/h1-8,12-13,15-16H,9-10H2
InChIKeyGNQXMPSPMMWTKI-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.91
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 3-phenyltricyclo[5.2.1.02,6]deca-3,8-diene?
The IUPAC name of 3-phenyltricyclo[5.2.1.02,6]deca-3,8-diene (CID 75242817) is 3-phenyltricyclo[5.2.1.02,6]deca-3,8-diene.
What is the SMILES notation for 3-phenyltricyclo[5.2.1.02,6]deca-3,8-diene?
The canonical SMILES for 3-phenyltricyclo[5.2.1.02,6]deca-3,8-diene is C1=CC2CC1C1CC=C(c3ccccc3)C21.
What is the InChIKey of 3-phenyltricyclo[5.2.1.02,6]deca-3,8-diene?
The InChIKey is GNQXMPSPMMWTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16/c1-2-4-11(5-3-1)14-8-9-15-12-6-7-13(10-12)16(14)15/h1-8,12-13,15-16H,9-10H2.
What are the key properties of 3-phenyltricyclo[5.2.1.02,6]deca-3,8-diene?
3-phenyltricyclo[5.2.1.02,6]deca-3,8-diene has a molecular weight of 208.30 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyltricyclo[5.2.1.02,6]deca-3,8-diene is sourced from PubChem (CID 75242817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).