[2-(9-ethenylphosphanylcarbonyloxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] ethenylphosphanylformate

C25H22O7P2 — CID 159471909

IUPAC[2-(9-ethenylphosphanylcarbonyloxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] ethenylphosphanylformate
SMILESC=CPC(=O)OCC(=O)c1ccc2c(c1)COc1cc3c(cc1-2)CCC(OC(=O)PC=C)C3=O
InChIInChI=1S/C25H22O7P2/c1-3-33-24(28)31-13-20(26)15-5-7-17-16(9-15)12-30-22-11-18-14(10-19(17)22)6-8-21(23(18)27)32-25(29)34-4-2/h3-5,7,9-11,21,33-34H,1-2,6,8,12-13H2
InChIKeyUQKWZJOFVGXCHV-UHFFFAOYSA-N
MW496.39 g/mol
LogP5.84
Rot. Bonds8

About [2-(9-ethenylphosphanylcarbonyloxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] ethenylphosphanylformate

[2-(9-ethenylphosphanylcarbonyloxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] ethenylphosphanylformate (PubChem CID 159471909) has the molecular formula C25H22O7P2 and a molecular weight of 496.39 g/mol. Its IUPAC name is [2-(9-ethenylphosphanylcarbonyloxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] ethenylphosphanylformate.

Molecular Properties

Compound Name[2-(9-ethenylphosphanylcarbonyloxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] ethenylphosphanylformate
PubChem CID159471909
Molecular FormulaC25H22O7P2
Molecular Weight496.39 g/mol
Exact Mass496.08
IUPAC Name[2-(9-ethenylphosphanylcarbonyloxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] ethenylphosphanylformate
SMILESC=CPC(=O)OCC(=O)c1ccc2c(c1)COc1cc3c(cc1-2)CCC(OC(=O)PC=C)C3=O
InChIInChI=1S/C25H22O7P2/c1-3-33-24(28)31-13-20(26)15-5-7-17-16(9-15)12-30-22-11-18-14(10-19(17)22)6-8-21(23(18)27)32-25(29)34-4-2/h3-5,7,9-11,21,33-34H,1-2,6,8,12-13H2
InChIKeyUQKWZJOFVGXCHV-UHFFFAOYSA-N
XLogP5.84
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.39
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(9-ethenylphosphanylcarbonyloxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] ethenylphosphanylformate?
The IUPAC name of [2-(9-ethenylphosphanylcarbonyloxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] ethenylphosphanylformate (CID 159471909) is [2-(9-ethenylphosphanylcarbonyloxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] ethenylphosphanylformate.
What is the SMILES notation for [2-(9-ethenylphosphanylcarbonyloxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] ethenylphosphanylformate?
The canonical SMILES for [2-(9-ethenylphosphanylcarbonyloxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] ethenylphosphanylformate is C=CPC(=O)OCC(=O)c1ccc2c(c1)COc1cc3c(cc1-2)CCC(OC(=O)PC=C)C3=O.
What is the InChIKey of [2-(9-ethenylphosphanylcarbonyloxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] ethenylphosphanylformate?
The InChIKey is UQKWZJOFVGXCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O7P2/c1-3-33-24(28)31-13-20(26)15-5-7-17-16(9-15)12-30-22-11-18-14(10-19(17)22)6-8-21(23(18)27)32-25(29)34-4-2/h3-5,7,9-11,21,33-34H,1-2,6,8,12-13H2.
What are the key properties of [2-(9-ethenylphosphanylcarbonyloxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] ethenylphosphanylformate?
[2-(9-ethenylphosphanylcarbonyloxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] ethenylphosphanylformate has a molecular weight of 496.39 g/mol, XLogP of 5.84, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(9-ethenylphosphanylcarbonyloxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl)-2-oxoethyl] ethenylphosphanylformate is sourced from PubChem (CID 159471909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).