12-fluoro-15-phenyl-3,6,9-trioxatetracyclo[9.4.0.02,4.08,10]pentadeca-1(15),11,13-triene

C18H15FO3 — CID 141426233

IUPAC12-fluoro-15-phenyl-3,6,9-trioxatetracyclo[9.4.0.02,4.08,10]pentadeca-1(15),11,13-triene
SMILESFc1ccc(-c2ccccc2)c2c1C1OC1COCC1OC21
InChIInChI=1S/C18H15FO3/c19-12-7-6-11(10-4-2-1-3-5-10)15-16(12)18-14(22-18)9-20-8-13-17(15)21-13/h1-7,13-14,17-18H,8-9H2
InChIKeyRMPUNIZJJMWAAA-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.40
Rot. Bonds1

About 12-fluoro-15-phenyl-3,6,9-trioxatetracyclo[9.4.0.02,4.08,10]pentadeca-1(15),11,13-triene

12-fluoro-15-phenyl-3,6,9-trioxatetracyclo[9.4.0.02,4.08,10]pentadeca-1(15),11,13-triene (PubChem CID 141426233) has the molecular formula C18H15FO3 and a molecular weight of 298.31 g/mol. Its IUPAC name is 12-fluoro-15-phenyl-3,6,9-trioxatetracyclo[9.4.0.02,4.08,10]pentadeca-1(15),11,13-triene.

Molecular Properties

Compound Name12-fluoro-15-phenyl-3,6,9-trioxatetracyclo[9.4.0.02,4.08,10]pentadeca-1(15),11,13-triene
PubChem CID141426233
Molecular FormulaC18H15FO3
Molecular Weight298.31 g/mol
Exact Mass298.10
IUPAC Name12-fluoro-15-phenyl-3,6,9-trioxatetracyclo[9.4.0.02,4.08,10]pentadeca-1(15),11,13-triene
SMILESFc1ccc(-c2ccccc2)c2c1C1OC1COCC1OC21
InChIInChI=1S/C18H15FO3/c19-12-7-6-11(10-4-2-1-3-5-10)15-16(12)18-14(22-18)9-20-8-13-17(15)21-13/h1-7,13-14,17-18H,8-9H2
InChIKeyRMPUNIZJJMWAAA-UHFFFAOYSA-N
XLogP3.40
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 12-fluoro-15-phenyl-3,6,9-trioxatetracyclo[9.4.0.02,4.08,10]pentadeca-1(15),11,13-triene?
The IUPAC name of 12-fluoro-15-phenyl-3,6,9-trioxatetracyclo[9.4.0.02,4.08,10]pentadeca-1(15),11,13-triene (CID 141426233) is 12-fluoro-15-phenyl-3,6,9-trioxatetracyclo[9.4.0.02,4.08,10]pentadeca-1(15),11,13-triene.
What is the SMILES notation for 12-fluoro-15-phenyl-3,6,9-trioxatetracyclo[9.4.0.02,4.08,10]pentadeca-1(15),11,13-triene?
The canonical SMILES for 12-fluoro-15-phenyl-3,6,9-trioxatetracyclo[9.4.0.02,4.08,10]pentadeca-1(15),11,13-triene is Fc1ccc(-c2ccccc2)c2c1C1OC1COCC1OC21.
What is the InChIKey of 12-fluoro-15-phenyl-3,6,9-trioxatetracyclo[9.4.0.02,4.08,10]pentadeca-1(15),11,13-triene?
The InChIKey is RMPUNIZJJMWAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FO3/c19-12-7-6-11(10-4-2-1-3-5-10)15-16(12)18-14(22-18)9-20-8-13-17(15)21-13/h1-7,13-14,17-18H,8-9H2.
What are the key properties of 12-fluoro-15-phenyl-3,6,9-trioxatetracyclo[9.4.0.02,4.08,10]pentadeca-1(15),11,13-triene?
12-fluoro-15-phenyl-3,6,9-trioxatetracyclo[9.4.0.02,4.08,10]pentadeca-1(15),11,13-triene has a molecular weight of 298.31 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-fluoro-15-phenyl-3,6,9-trioxatetracyclo[9.4.0.02,4.08,10]pentadeca-1(15),11,13-triene is sourced from PubChem (CID 141426233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).