(2,5-dihydroxyphenyl) diphenyl phosphate

C18H15O6P — CID 22481167

IUPAC(2,5-dihydroxyphenyl) diphenyl phosphate
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)Oc1cc(O)ccc1O
InChIInChI=1S/C18H15O6P/c19-14-11-12-17(20)18(13-14)24-25(21,22-15-7-3-1-4-8-15)23-16-9-5-2-6-10-16/h1-13,19-20H
InChIKeyHXGJLXHRDNOUEA-UHFFFAOYSA-N
MW358.29 g/mol
LogP4.74
Rot. Bonds6

About (2,5-dihydroxyphenyl) diphenyl phosphate

(2,5-dihydroxyphenyl) diphenyl phosphate (PubChem CID 22481167) has the molecular formula C18H15O6P and a molecular weight of 358.29 g/mol. Its IUPAC name is (2,5-dihydroxyphenyl) diphenyl phosphate.

Molecular Properties

Compound Name(2,5-dihydroxyphenyl) diphenyl phosphate
PubChem CID22481167
Molecular FormulaC18H15O6P
Molecular Weight358.29 g/mol
Exact Mass358.06
IUPAC Name(2,5-dihydroxyphenyl) diphenyl phosphate
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)Oc1cc(O)ccc1O
InChIInChI=1S/C18H15O6P/c19-14-11-12-17(20)18(13-14)24-25(21,22-15-7-3-1-4-8-15)23-16-9-5-2-6-10-16/h1-13,19-20H
InChIKeyHXGJLXHRDNOUEA-UHFFFAOYSA-N
XLogP4.74
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.29
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxyphenyl) diphenyl phosphate?
The IUPAC name of (2,5-dihydroxyphenyl) diphenyl phosphate (CID 22481167) is (2,5-dihydroxyphenyl) diphenyl phosphate.
What is the SMILES notation for (2,5-dihydroxyphenyl) diphenyl phosphate?
The canonical SMILES for (2,5-dihydroxyphenyl) diphenyl phosphate is O=P(Oc1ccccc1)(Oc1ccccc1)Oc1cc(O)ccc1O.
What is the InChIKey of (2,5-dihydroxyphenyl) diphenyl phosphate?
The InChIKey is HXGJLXHRDNOUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15O6P/c19-14-11-12-17(20)18(13-14)24-25(21,22-15-7-3-1-4-8-15)23-16-9-5-2-6-10-16/h1-13,19-20H.
What are the key properties of (2,5-dihydroxyphenyl) diphenyl phosphate?
(2,5-dihydroxyphenyl) diphenyl phosphate has a molecular weight of 358.29 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxyphenyl) diphenyl phosphate is sourced from PubChem (CID 22481167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).