10-phenyl-11,12,15-trioxatetracyclo[7.4.1.110,13.05,14]pentadeca-1,3,5(14),6,8-pentaene

C18H12O3 — CID 10221228

IUPAC10-phenyl-11,12,15-trioxatetracyclo[7.4.1.110,13.05,14]pentadeca-1,3,5(14),6,8-pentaene
SMILESc1ccc(C23OOC(O2)c2cccc4cccc3c24)cc1
InChIInChI=1S/C18H12O3/c1-2-8-13(9-3-1)18-15-11-5-7-12-6-4-10-14(16(12)15)17(19-18)20-21-18/h1-11,17H
InChIKeyRWQOKFNYMOMEBR-UHFFFAOYSA-N
MW276.29 g/mol
LogP4.03
Rot. Bonds1

About 10-phenyl-11,12,15-trioxatetracyclo[7.4.1.110,13.05,14]pentadeca-1,3,5(14),6,8-pentaene

10-phenyl-11,12,15-trioxatetracyclo[7.4.1.110,13.05,14]pentadeca-1,3,5(14),6,8-pentaene (PubChem CID 10221228) has the molecular formula C18H12O3 and a molecular weight of 276.29 g/mol. Its IUPAC name is 10-phenyl-11,12,15-trioxatetracyclo[7.4.1.110,13.05,14]pentadeca-1,3,5(14),6,8-pentaene.

Molecular Properties

Compound Name10-phenyl-11,12,15-trioxatetracyclo[7.4.1.110,13.05,14]pentadeca-1,3,5(14),6,8-pentaene
PubChem CID10221228
Molecular FormulaC18H12O3
Molecular Weight276.29 g/mol
Exact Mass276.08
IUPAC Name10-phenyl-11,12,15-trioxatetracyclo[7.4.1.110,13.05,14]pentadeca-1,3,5(14),6,8-pentaene
SMILESc1ccc(C23OOC(O2)c2cccc4cccc3c24)cc1
InChIInChI=1S/C18H12O3/c1-2-8-13(9-3-1)18-15-11-5-7-12-6-4-10-14(16(12)15)17(19-18)20-21-18/h1-11,17H
InChIKeyRWQOKFNYMOMEBR-UHFFFAOYSA-N
XLogP4.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-phenyl-11,12,15-trioxatetracyclo[7.4.1.110,13.05,14]pentadeca-1,3,5(14),6,8-pentaene?
The IUPAC name of 10-phenyl-11,12,15-trioxatetracyclo[7.4.1.110,13.05,14]pentadeca-1,3,5(14),6,8-pentaene (CID 10221228) is 10-phenyl-11,12,15-trioxatetracyclo[7.4.1.110,13.05,14]pentadeca-1,3,5(14),6,8-pentaene.
What is the SMILES notation for 10-phenyl-11,12,15-trioxatetracyclo[7.4.1.110,13.05,14]pentadeca-1,3,5(14),6,8-pentaene?
The canonical SMILES for 10-phenyl-11,12,15-trioxatetracyclo[7.4.1.110,13.05,14]pentadeca-1,3,5(14),6,8-pentaene is c1ccc(C23OOC(O2)c2cccc4cccc3c24)cc1.
What is the InChIKey of 10-phenyl-11,12,15-trioxatetracyclo[7.4.1.110,13.05,14]pentadeca-1,3,5(14),6,8-pentaene?
The InChIKey is RWQOKFNYMOMEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O3/c1-2-8-13(9-3-1)18-15-11-5-7-12-6-4-10-14(16(12)15)17(19-18)20-21-18/h1-11,17H.
What are the key properties of 10-phenyl-11,12,15-trioxatetracyclo[7.4.1.110,13.05,14]pentadeca-1,3,5(14),6,8-pentaene?
10-phenyl-11,12,15-trioxatetracyclo[7.4.1.110,13.05,14]pentadeca-1,3,5(14),6,8-pentaene has a molecular weight of 276.29 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-11,12,15-trioxatetracyclo[7.4.1.110,13.05,14]pentadeca-1,3,5(14),6,8-pentaene is sourced from PubChem (CID 10221228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).