7-phenyl-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-triene

C19H22O4 — CID 15163004

IUPAC7-phenyl-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-triene
SMILESc1ccc(C2COCCOc3ccccc3OCCOC2)cc1
InChIInChI=1S/C19H22O4/c1-2-6-16(7-3-1)17-14-20-10-12-22-18-8-4-5-9-19(18)23-13-11-21-15-17/h1-9,17H,10-15H2
InChIKeyNHFZPYXJGQWNFX-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.27
Rot. Bonds1

About 7-phenyl-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-triene

7-phenyl-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-triene (PubChem CID 15163004) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 7-phenyl-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-triene.

Molecular Properties

Compound Name7-phenyl-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-triene
PubChem CID15163004
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name7-phenyl-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-triene
SMILESc1ccc(C2COCCOc3ccccc3OCCOC2)cc1
InChIInChI=1S/C19H22O4/c1-2-6-16(7-3-1)17-14-20-10-12-22-18-8-4-5-9-19(18)23-13-11-21-15-17/h1-9,17H,10-15H2
InChIKeyNHFZPYXJGQWNFX-UHFFFAOYSA-N
XLogP3.27
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-triene?
The IUPAC name of 7-phenyl-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-triene (CID 15163004) is 7-phenyl-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-triene.
What is the SMILES notation for 7-phenyl-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-triene?
The canonical SMILES for 7-phenyl-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-triene is c1ccc(C2COCCOc3ccccc3OCCOC2)cc1.
What is the InChIKey of 7-phenyl-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-triene?
The InChIKey is NHFZPYXJGQWNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-2-6-16(7-3-1)17-14-20-10-12-22-18-8-4-5-9-19(18)23-13-11-21-15-17/h1-9,17H,10-15H2.
What are the key properties of 7-phenyl-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-triene?
7-phenyl-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-triene has a molecular weight of 314.38 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-triene is sourced from PubChem (CID 15163004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).