(1R,8S,9R,13R,15R)-9-phenyl-10,19-dioxapentacyclo[11.5.1.01,15.02,7.08,13]nonadeca-2,4,6-triene

C23H24O2 — CID 139183275

IUPAC(1R,8S,9R,13R,15R)-9-phenyl-10,19-dioxapentacyclo[11.5.1.01,15.02,7.08,13]nonadeca-2,4,6-triene
SMILESc1ccc([C@@H]2OCC[C@@]34C[C@H]5CCC[C@]5(O3)c3ccccc3[C@@H]24)cc1
InChIInChI=1S/C23H24O2/c1-2-7-16(8-3-1)21-20-18-10-4-5-11-19(18)23-12-6-9-17(23)15-22(20,25-23)13-14-24-21/h1-5,7-8,10-11,17,20-21H,6,9,12-15H2/t17-,20+,21+,22+,23-/m1/s1
InChIKeyFORUXXAWYZSYKG-QRYVVUSGSA-N
MW332.44 g/mol
LogP5.10
Rot. Bonds1

About (1R,8S,9R,13R,15R)-9-phenyl-10,19-dioxapentacyclo[11.5.1.01,15.02,7.08,13]nonadeca-2,4,6-triene

(1R,8S,9R,13R,15R)-9-phenyl-10,19-dioxapentacyclo[11.5.1.01,15.02,7.08,13]nonadeca-2,4,6-triene (PubChem CID 139183275) has the molecular formula C23H24O2 and a molecular weight of 332.44 g/mol. Its IUPAC name is (1R,8S,9R,13R,15R)-9-phenyl-10,19-dioxapentacyclo[11.5.1.01,15.02,7.08,13]nonadeca-2,4,6-triene.

Molecular Properties

Compound Name(1R,8S,9R,13R,15R)-9-phenyl-10,19-dioxapentacyclo[11.5.1.01,15.02,7.08,13]nonadeca-2,4,6-triene
PubChem CID139183275
Molecular FormulaC23H24O2
Molecular Weight332.44 g/mol
Exact Mass332.18
IUPAC Name(1R,8S,9R,13R,15R)-9-phenyl-10,19-dioxapentacyclo[11.5.1.01,15.02,7.08,13]nonadeca-2,4,6-triene
SMILESc1ccc([C@@H]2OCC[C@@]34C[C@H]5CCC[C@]5(O3)c3ccccc3[C@@H]24)cc1
InChIInChI=1S/C23H24O2/c1-2-7-16(8-3-1)21-20-18-10-4-5-11-19(18)23-12-6-9-17(23)15-22(20,25-23)13-14-24-21/h1-5,7-8,10-11,17,20-21H,6,9,12-15H2/t17-,20+,21+,22+,23-/m1/s1
InChIKeyFORUXXAWYZSYKG-QRYVVUSGSA-N
XLogP5.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.44
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,8S,9R,13R,15R)-9-phenyl-10,19-dioxapentacyclo[11.5.1.01,15.02,7.08,13]nonadeca-2,4,6-triene?
The IUPAC name of (1R,8S,9R,13R,15R)-9-phenyl-10,19-dioxapentacyclo[11.5.1.01,15.02,7.08,13]nonadeca-2,4,6-triene (CID 139183275) is (1R,8S,9R,13R,15R)-9-phenyl-10,19-dioxapentacyclo[11.5.1.01,15.02,7.08,13]nonadeca-2,4,6-triene.
What is the SMILES notation for (1R,8S,9R,13R,15R)-9-phenyl-10,19-dioxapentacyclo[11.5.1.01,15.02,7.08,13]nonadeca-2,4,6-triene?
The canonical SMILES for (1R,8S,9R,13R,15R)-9-phenyl-10,19-dioxapentacyclo[11.5.1.01,15.02,7.08,13]nonadeca-2,4,6-triene is c1ccc([C@@H]2OCC[C@@]34C[C@H]5CCC[C@]5(O3)c3ccccc3[C@@H]24)cc1.
What is the InChIKey of (1R,8S,9R,13R,15R)-9-phenyl-10,19-dioxapentacyclo[11.5.1.01,15.02,7.08,13]nonadeca-2,4,6-triene?
The InChIKey is FORUXXAWYZSYKG-QRYVVUSGSA-N. The full InChI is InChI=1S/C23H24O2/c1-2-7-16(8-3-1)21-20-18-10-4-5-11-19(18)23-12-6-9-17(23)15-22(20,25-23)13-14-24-21/h1-5,7-8,10-11,17,20-21H,6,9,12-15H2/t17-,20+,21+,22+,23-/m1/s1.
What are the key properties of (1R,8S,9R,13R,15R)-9-phenyl-10,19-dioxapentacyclo[11.5.1.01,15.02,7.08,13]nonadeca-2,4,6-triene?
(1R,8S,9R,13R,15R)-9-phenyl-10,19-dioxapentacyclo[11.5.1.01,15.02,7.08,13]nonadeca-2,4,6-triene has a molecular weight of 332.44 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S,9R,13R,15R)-9-phenyl-10,19-dioxapentacyclo[11.5.1.01,15.02,7.08,13]nonadeca-2,4,6-triene is sourced from PubChem (CID 139183275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).