9-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene

C16H14O — CID 85365383

IUPAC9-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESc1ccc(C2CC3OC2c2ccccc23)cc1
InChIInChI=1S/C16H14O/c1-2-6-11(7-3-1)14-10-15-12-8-4-5-9-13(12)16(14)17-15/h1-9,14-16H,10H2
InChIKeyBBLKKQFZFAOQRP-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.99
Rot. Bonds1

About 9-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene

9-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene (PubChem CID 85365383) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is 9-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene.

Molecular Properties

Compound Name9-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
PubChem CID85365383
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name9-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
SMILESc1ccc(C2CC3OC2c2ccccc23)cc1
InChIInChI=1S/C16H14O/c1-2-6-11(7-3-1)14-10-15-12-8-4-5-9-13(12)16(14)17-15/h1-9,14-16H,10H2
InChIKeyBBLKKQFZFAOQRP-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The IUPAC name of 9-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene (CID 85365383) is 9-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene.
What is the SMILES notation for 9-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The canonical SMILES for 9-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene is c1ccc(C2CC3OC2c2ccccc23)cc1.
What is the InChIKey of 9-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
The InChIKey is BBLKKQFZFAOQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O/c1-2-6-11(7-3-1)14-10-15-12-8-4-5-9-13(12)16(14)17-15/h1-9,14-16H,10H2.
What are the key properties of 9-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene?
9-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene has a molecular weight of 222.29 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene is sourced from PubChem (CID 85365383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).