20-phenyl-2,5,8,11,14,17-hexaoxatricyclo[13.8.0.016,21]tricosa-1(15),16(21),19,22-tetraen-18-one

C23H24O7 — CID 15667963

IUPAC20-phenyl-2,5,8,11,14,17-hexaoxatricyclo[13.8.0.016,21]tricosa-1(15),16(21),19,22-tetraen-18-one
SMILESO=c1cc(-c2ccccc2)c2ccc3c(c2o1)OCCOCCOCCOCCO3
InChIInChI=1S/C23H24O7/c24-21-16-19(17-4-2-1-3-5-17)18-6-7-20-23(22(18)30-21)29-15-13-27-11-9-25-8-10-26-12-14-28-20/h1-7,16H,8-15H2
InChIKeyYPZAFGSQBUQGEJ-UHFFFAOYSA-N
MW412.44 g/mol
LogP3.28
Rot. Bonds1

About 20-phenyl-2,5,8,11,14,17-hexaoxatricyclo[13.8.0.016,21]tricosa-1(15),16(21),19,22-tetraen-18-one

20-phenyl-2,5,8,11,14,17-hexaoxatricyclo[13.8.0.016,21]tricosa-1(15),16(21),19,22-tetraen-18-one (PubChem CID 15667963) has the molecular formula C23H24O7 and a molecular weight of 412.44 g/mol. Its IUPAC name is 20-phenyl-2,5,8,11,14,17-hexaoxatricyclo[13.8.0.016,21]tricosa-1(15),16(21),19,22-tetraen-18-one.

Molecular Properties

Compound Name20-phenyl-2,5,8,11,14,17-hexaoxatricyclo[13.8.0.016,21]tricosa-1(15),16(21),19,22-tetraen-18-one
PubChem CID15667963
Molecular FormulaC23H24O7
Molecular Weight412.44 g/mol
Exact Mass412.15
IUPAC Name20-phenyl-2,5,8,11,14,17-hexaoxatricyclo[13.8.0.016,21]tricosa-1(15),16(21),19,22-tetraen-18-one
SMILESO=c1cc(-c2ccccc2)c2ccc3c(c2o1)OCCOCCOCCOCCO3
InChIInChI=1S/C23H24O7/c24-21-16-19(17-4-2-1-3-5-17)18-6-7-20-23(22(18)30-21)29-15-13-27-11-9-25-8-10-26-12-14-28-20/h1-7,16H,8-15H2
InChIKeyYPZAFGSQBUQGEJ-UHFFFAOYSA-N
XLogP3.28
TPSA76.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 20-phenyl-2,5,8,11,14,17-hexaoxatricyclo[13.8.0.016,21]tricosa-1(15),16(21),19,22-tetraen-18-one?
The IUPAC name of 20-phenyl-2,5,8,11,14,17-hexaoxatricyclo[13.8.0.016,21]tricosa-1(15),16(21),19,22-tetraen-18-one (CID 15667963) is 20-phenyl-2,5,8,11,14,17-hexaoxatricyclo[13.8.0.016,21]tricosa-1(15),16(21),19,22-tetraen-18-one.
What is the SMILES notation for 20-phenyl-2,5,8,11,14,17-hexaoxatricyclo[13.8.0.016,21]tricosa-1(15),16(21),19,22-tetraen-18-one?
The canonical SMILES for 20-phenyl-2,5,8,11,14,17-hexaoxatricyclo[13.8.0.016,21]tricosa-1(15),16(21),19,22-tetraen-18-one is O=c1cc(-c2ccccc2)c2ccc3c(c2o1)OCCOCCOCCOCCO3.
What is the InChIKey of 20-phenyl-2,5,8,11,14,17-hexaoxatricyclo[13.8.0.016,21]tricosa-1(15),16(21),19,22-tetraen-18-one?
The InChIKey is YPZAFGSQBUQGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O7/c24-21-16-19(17-4-2-1-3-5-17)18-6-7-20-23(22(18)30-21)29-15-13-27-11-9-25-8-10-26-12-14-28-20/h1-7,16H,8-15H2.
What are the key properties of 20-phenyl-2,5,8,11,14,17-hexaoxatricyclo[13.8.0.016,21]tricosa-1(15),16(21),19,22-tetraen-18-one?
20-phenyl-2,5,8,11,14,17-hexaoxatricyclo[13.8.0.016,21]tricosa-1(15),16(21),19,22-tetraen-18-one has a molecular weight of 412.44 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 20-phenyl-2,5,8,11,14,17-hexaoxatricyclo[13.8.0.016,21]tricosa-1(15),16(21),19,22-tetraen-18-one is sourced from PubChem (CID 15667963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).