3-phenyltricyclo[3.3.1.03,7]nonane

C15H18 — CID 14968757

IUPAC3-phenyltricyclo[3.3.1.03,7]nonane
SMILESc1ccc(C23CC4CC(CC2C4)C3)cc1
InChIInChI=1S/C15H18/c1-2-4-13(5-3-1)15-9-11-6-12(10-15)8-14(15)7-11/h1-5,11-12,14H,6-10H2
InChIKeyWQJRUZFEUXAHGE-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.76
Rot. Bonds1

About 3-phenyltricyclo[3.3.1.03,7]nonane

3-phenyltricyclo[3.3.1.03,7]nonane (PubChem CID 14968757) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-phenyltricyclo[3.3.1.03,7]nonane.

Molecular Properties

Compound Name3-phenyltricyclo[3.3.1.03,7]nonane
PubChem CID14968757
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name3-phenyltricyclo[3.3.1.03,7]nonane
SMILESc1ccc(C23CC4CC(CC2C4)C3)cc1
InChIInChI=1S/C15H18/c1-2-4-13(5-3-1)15-9-11-6-12(10-15)8-14(15)7-11/h1-5,11-12,14H,6-10H2
InChIKeyWQJRUZFEUXAHGE-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-phenyltricyclo[3.3.1.03,7]nonane?
The IUPAC name of 3-phenyltricyclo[3.3.1.03,7]nonane (CID 14968757) is 3-phenyltricyclo[3.3.1.03,7]nonane.
What is the SMILES notation for 3-phenyltricyclo[3.3.1.03,7]nonane?
The canonical SMILES for 3-phenyltricyclo[3.3.1.03,7]nonane is c1ccc(C23CC4CC(CC2C4)C3)cc1.
What is the InChIKey of 3-phenyltricyclo[3.3.1.03,7]nonane?
The InChIKey is WQJRUZFEUXAHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-2-4-13(5-3-1)15-9-11-6-12(10-15)8-14(15)7-11/h1-5,11-12,14H,6-10H2.
What are the key properties of 3-phenyltricyclo[3.3.1.03,7]nonane?
3-phenyltricyclo[3.3.1.03,7]nonane has a molecular weight of 198.31 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyltricyclo[3.3.1.03,7]nonane is sourced from PubChem (CID 14968757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).