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

C19H18O8P2 — CID 175684888

IUPAC[3-[hydroxy(methoxy)phosphoryl]oxyphenyl] diphenyl phosphate
SMILESCOP(=O)(O)Oc1cccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)c1
InChIInChI=1S/C19H18O8P2/c1-23-28(20,21)24-18-13-8-14-19(15-18)27-29(22,25-16-9-4-2-5-10-16)26-17-11-6-3-7-12-17/h2-15H,1H3,(H,20,21)
InChIKeyDRDALYVCXFDHIH-UHFFFAOYSA-N
MW436.29 g/mol
LogP5.46
Rot. Bonds9

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

[3-[hydroxy(methoxy)phosphoryl]oxyphenyl] diphenyl phosphate (PubChem CID 175684888) has the molecular formula C19H18O8P2 and a molecular weight of 436.29 g/mol. Its IUPAC name is [3-[hydroxy(methoxy)phosphoryl]oxyphenyl] diphenyl phosphate.

Molecular Properties

Compound Name[3-[hydroxy(methoxy)phosphoryl]oxyphenyl] diphenyl phosphate
PubChem CID175684888
Molecular FormulaC19H18O8P2
Molecular Weight436.29 g/mol
Exact Mass436.05
IUPAC Name[3-[hydroxy(methoxy)phosphoryl]oxyphenyl] diphenyl phosphate
SMILESCOP(=O)(O)Oc1cccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)c1
InChIInChI=1S/C19H18O8P2/c1-23-28(20,21)24-18-13-8-14-19(15-18)27-29(22,25-16-9-4-2-5-10-16)26-17-11-6-3-7-12-17/h2-15H,1H3,(H,20,21)
InChIKeyDRDALYVCXFDHIH-UHFFFAOYSA-N
XLogP5.46
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.29
LogP ≤ 55.46
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(methoxy)phosphoryl]oxyphenyl] diphenyl phosphate?
The IUPAC name of [3-[hydroxy(methoxy)phosphoryl]oxyphenyl] diphenyl phosphate (CID 175684888) is [3-[hydroxy(methoxy)phosphoryl]oxyphenyl] diphenyl phosphate.
What is the SMILES notation for [3-[hydroxy(methoxy)phosphoryl]oxyphenyl] diphenyl phosphate?
The canonical SMILES for [3-[hydroxy(methoxy)phosphoryl]oxyphenyl] diphenyl phosphate is COP(=O)(O)Oc1cccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)c1.
What is the InChIKey of [3-[hydroxy(methoxy)phosphoryl]oxyphenyl] diphenyl phosphate?
The InChIKey is DRDALYVCXFDHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O8P2/c1-23-28(20,21)24-18-13-8-14-19(15-18)27-29(22,25-16-9-4-2-5-10-16)26-17-11-6-3-7-12-17/h2-15H,1H3,(H,20,21).
What are the key properties of [3-[hydroxy(methoxy)phosphoryl]oxyphenyl] diphenyl phosphate?
[3-[hydroxy(methoxy)phosphoryl]oxyphenyl] diphenyl phosphate has a molecular weight of 436.29 g/mol, XLogP of 5.46, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[hydroxy(methoxy)phosphoryl]oxyphenyl] diphenyl phosphate is sourced from PubChem (CID 175684888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).