diphenylphosphoryloxybenzene

C18H15O2P — CID 15566

IUPACdiphenylphosphoryloxybenzene
SMILESO=P(Oc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15O2P/c19-21(17-12-6-2-7-13-17,18-14-8-3-9-15-18)20-16-10-4-1-5-11-16/h1-15H
InChIKeyCIJWIJSYZZLMGD-UHFFFAOYSA-N
MW294.29 g/mol
LogP3.99
Rot. Bonds4

About diphenylphosphoryloxybenzene

diphenylphosphoryloxybenzene (PubChem CID 15566) has the molecular formula C18H15O2P and a molecular weight of 294.29 g/mol. Its IUPAC name is diphenylphosphoryloxybenzene.

Molecular Properties

Compound Namediphenylphosphoryloxybenzene
PubChem CID15566
Molecular FormulaC18H15O2P
Molecular Weight294.29 g/mol
Exact Mass294.08
IUPAC Namediphenylphosphoryloxybenzene
SMILESO=P(Oc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15O2P/c19-21(17-12-6-2-7-13-17,18-14-8-3-9-15-18)20-16-10-4-1-5-11-16/h1-15H
InChIKeyCIJWIJSYZZLMGD-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenylphosphoryloxybenzene?
The IUPAC name of diphenylphosphoryloxybenzene (CID 15566) is diphenylphosphoryloxybenzene.
What is the SMILES notation for diphenylphosphoryloxybenzene?
The canonical SMILES for diphenylphosphoryloxybenzene is O=P(Oc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylphosphoryloxybenzene?
The InChIKey is CIJWIJSYZZLMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15O2P/c19-21(17-12-6-2-7-13-17,18-14-8-3-9-15-18)20-16-10-4-1-5-11-16/h1-15H.
What are the key properties of diphenylphosphoryloxybenzene?
diphenylphosphoryloxybenzene has a molecular weight of 294.29 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphoryloxybenzene is sourced from PubChem (CID 15566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).