[3-[hydroxy(phenoxy)phosphoryl]oxyphenyl] diphenyl phosphate

C24H20O8P2 — CID 87504194

IUPAC[3-[hydroxy(phenoxy)phosphoryl]oxyphenyl] diphenyl phosphate
SMILESO=P(O)(Oc1ccccc1)Oc1cccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)c1
InChIInChI=1S/C24H20O8P2/c25-33(26,28-20-11-4-1-5-12-20)29-23-17-10-18-24(19-23)32-34(27,30-21-13-6-2-7-14-21)31-22-15-8-3-9-16-22/h1-19H,(H,25,26)
InChIKeyYXCNAHOCESLROP-UHFFFAOYSA-N
MW498.36 g/mol
LogP6.89
Rot. Bonds10

About [3-[hydroxy(phenoxy)phosphoryl]oxyphenyl] diphenyl phosphate

[3-[hydroxy(phenoxy)phosphoryl]oxyphenyl] diphenyl phosphate (PubChem CID 87504194) has the molecular formula C24H20O8P2 and a molecular weight of 498.36 g/mol. Its IUPAC name is [3-[hydroxy(phenoxy)phosphoryl]oxyphenyl] diphenyl phosphate.

Molecular Properties

Compound Name[3-[hydroxy(phenoxy)phosphoryl]oxyphenyl] diphenyl phosphate
PubChem CID87504194
Molecular FormulaC24H20O8P2
Molecular Weight498.36 g/mol
Exact Mass498.06
IUPAC Name[3-[hydroxy(phenoxy)phosphoryl]oxyphenyl] diphenyl phosphate
SMILESO=P(O)(Oc1ccccc1)Oc1cccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)c1
InChIInChI=1S/C24H20O8P2/c25-33(26,28-20-11-4-1-5-12-20)29-23-17-10-18-24(19-23)32-34(27,30-21-13-6-2-7-14-21)31-22-15-8-3-9-16-22/h1-19H,(H,25,26)
InChIKeyYXCNAHOCESLROP-UHFFFAOYSA-N
XLogP6.89
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.36
LogP ≤ 56.89
H-Bond Donors ≤ 51
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 [3-[hydroxy(phenoxy)phosphoryl]oxyphenyl] diphenyl phosphate?
The IUPAC name of [3-[hydroxy(phenoxy)phosphoryl]oxyphenyl] diphenyl phosphate (CID 87504194) is [3-[hydroxy(phenoxy)phosphoryl]oxyphenyl] diphenyl phosphate.
What is the SMILES notation for [3-[hydroxy(phenoxy)phosphoryl]oxyphenyl] diphenyl phosphate?
The canonical SMILES for [3-[hydroxy(phenoxy)phosphoryl]oxyphenyl] diphenyl phosphate is O=P(O)(Oc1ccccc1)Oc1cccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)c1.
What is the InChIKey of [3-[hydroxy(phenoxy)phosphoryl]oxyphenyl] diphenyl phosphate?
The InChIKey is YXCNAHOCESLROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O8P2/c25-33(26,28-20-11-4-1-5-12-20)29-23-17-10-18-24(19-23)32-34(27,30-21-13-6-2-7-14-21)31-22-15-8-3-9-16-22/h1-19H,(H,25,26).
What are the key properties of [3-[hydroxy(phenoxy)phosphoryl]oxyphenyl] diphenyl phosphate?
[3-[hydroxy(phenoxy)phosphoryl]oxyphenyl] diphenyl phosphate has a molecular weight of 498.36 g/mol, XLogP of 6.89, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[hydroxy(phenoxy)phosphoryl]oxyphenyl] diphenyl phosphate is sourced from PubChem (CID 87504194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).