2-diphenylphosphorylbenzene-1,4-diol

C18H15O3P — CID 2783495

IUPAC2-diphenylphosphorylbenzene-1,4-diol
SMILESO=P(c1ccccc1)(c1ccccc1)c1cc(O)ccc1O
InChIInChI=1S/C18H15O3P/c19-14-11-12-17(20)18(13-14)22(21,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,19-20H
InChIKeyLLOXZCFOAUCDAE-UHFFFAOYSA-N
MW310.29 g/mol
LogP2.74
Rot. Bonds3

About 2-diphenylphosphorylbenzene-1,4-diol

2-diphenylphosphorylbenzene-1,4-diol (PubChem CID 2783495) has the molecular formula C18H15O3P and a molecular weight of 310.29 g/mol. Its IUPAC name is 2-diphenylphosphorylbenzene-1,4-diol.

Molecular Properties

Compound Name2-diphenylphosphorylbenzene-1,4-diol
PubChem CID2783495
Molecular FormulaC18H15O3P
Molecular Weight310.29 g/mol
Exact Mass310.08
IUPAC Name2-diphenylphosphorylbenzene-1,4-diol
SMILESO=P(c1ccccc1)(c1ccccc1)c1cc(O)ccc1O
InChIInChI=1S/C18H15O3P/c19-14-11-12-17(20)18(13-14)22(21,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,19-20H
InChIKeyLLOXZCFOAUCDAE-UHFFFAOYSA-N
XLogP2.74
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-diphenylphosphorylbenzene-1,4-diol?
The IUPAC name of 2-diphenylphosphorylbenzene-1,4-diol (CID 2783495) is 2-diphenylphosphorylbenzene-1,4-diol.
What is the SMILES notation for 2-diphenylphosphorylbenzene-1,4-diol?
The canonical SMILES for 2-diphenylphosphorylbenzene-1,4-diol is O=P(c1ccccc1)(c1ccccc1)c1cc(O)ccc1O.
What is the InChIKey of 2-diphenylphosphorylbenzene-1,4-diol?
The InChIKey is LLOXZCFOAUCDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15O3P/c19-14-11-12-17(20)18(13-14)22(21,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,19-20H.
What are the key properties of 2-diphenylphosphorylbenzene-1,4-diol?
2-diphenylphosphorylbenzene-1,4-diol has a molecular weight of 310.29 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphorylbenzene-1,4-diol is sourced from PubChem (CID 2783495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).