methyl diphenyl phosphate

C13H13O4P — CID 8291

IUPACmethyl diphenyl phosphate
SMILESCOP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C13H13O4P/c1-15-18(14,16-12-8-4-2-5-9-12)17-13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyVOWPVJACXJNHBC-UHFFFAOYSA-N
MW264.22 g/mol
LogP3.90
Rot. Bonds5

About methyl diphenyl phosphate

methyl diphenyl phosphate (PubChem CID 8291) has the molecular formula C13H13O4P and a molecular weight of 264.22 g/mol. Its IUPAC name is methyl diphenyl phosphate.

Molecular Properties

Compound Namemethyl diphenyl phosphate
PubChem CID8291
Molecular FormulaC13H13O4P
Molecular Weight264.22 g/mol
Exact Mass264.06
IUPAC Namemethyl diphenyl phosphate
SMILESCOP(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C13H13O4P/c1-15-18(14,16-12-8-4-2-5-9-12)17-13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyVOWPVJACXJNHBC-UHFFFAOYSA-N
XLogP3.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 53.90
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 methyl diphenyl phosphate?
The IUPAC name of methyl diphenyl phosphate (CID 8291) is methyl diphenyl phosphate.
What is the SMILES notation for methyl diphenyl phosphate?
The canonical SMILES for methyl diphenyl phosphate is COP(=O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of methyl diphenyl phosphate?
The InChIKey is VOWPVJACXJNHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13O4P/c1-15-18(14,16-12-8-4-2-5-9-12)17-13-10-6-3-7-11-13/h2-11H,1H3.
What are the key properties of methyl diphenyl phosphate?
methyl diphenyl phosphate has a molecular weight of 264.22 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl diphenyl phosphate is sourced from PubChem (CID 8291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).