triphenyl phosphate

C18H15O4P — CID 8289

IUPACtriphenyl phosphate
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H
InChIKeyXZZNDPSIHUTMOC-UHFFFAOYSA-N
MW326.29 g/mol
LogP5.33
Rot. Bonds6

About triphenyl phosphate

triphenyl phosphate (PubChem CID 8289) has the molecular formula C18H15O4P and a molecular weight of 326.29 g/mol. Its IUPAC name is triphenyl phosphate.

Molecular Properties

Compound Nametriphenyl phosphate
PubChem CID8289
Molecular FormulaC18H15O4P
Molecular Weight326.29 g/mol
Exact Mass326.07
IUPAC Nametriphenyl phosphate
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H
InChIKeyXZZNDPSIHUTMOC-UHFFFAOYSA-N
XLogP5.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.29
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triphenyl phosphate?
The IUPAC name of triphenyl phosphate (CID 8289) is triphenyl phosphate.
What is the SMILES notation for triphenyl phosphate?
The canonical SMILES for triphenyl phosphate is O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of triphenyl phosphate?
The InChIKey is XZZNDPSIHUTMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H.
What are the key properties of triphenyl phosphate?
triphenyl phosphate has a molecular weight of 326.29 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl phosphate is sourced from PubChem (CID 8289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).