benzhydryl diphenyl phosphate

C25H21O4P — CID 13353620

IUPACbenzhydryl diphenyl phosphate
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21O4P/c26-30(27-23-17-9-3-10-18-23,28-24-19-11-4-12-20-24)29-25(21-13-5-1-6-14-21)22-15-7-2-8-16-22/h1-20,25H
InChIKeyZYMQQEMUJKICDX-UHFFFAOYSA-N
MW416.41 g/mol
LogP7.06
Rot. Bonds8

About benzhydryl diphenyl phosphate

benzhydryl diphenyl phosphate (PubChem CID 13353620) has the molecular formula C25H21O4P and a molecular weight of 416.41 g/mol. Its IUPAC name is benzhydryl diphenyl phosphate.

Molecular Properties

Compound Namebenzhydryl diphenyl phosphate
PubChem CID13353620
Molecular FormulaC25H21O4P
Molecular Weight416.41 g/mol
Exact Mass416.12
IUPAC Namebenzhydryl diphenyl phosphate
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21O4P/c26-30(27-23-17-9-3-10-18-23,28-24-19-11-4-12-20-24)29-25(21-13-5-1-6-14-21)22-15-7-2-8-16-22/h1-20,25H
InChIKeyZYMQQEMUJKICDX-UHFFFAOYSA-N
XLogP7.06
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.41
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
2-methylpropane;triphenyl phosphate
CID 91193965
1,3-diphenylpropan-2-yl diphenyl phosphate
CID 45103115
1,1,1,2,3,3,3-heptadeuteriopropan-2-yl diphenyl phosphate
CID 139025846
ethyl (2R)-2-diphenoxyphosphoryloxy-2-phenylacetate
CID 134943975
tris[4-(1-phenylethyl)phenyl] phosphate
CID 519343
diphenyl [2,2,3,3-tetrafluoro-1-phenyl-3-(trifluoromethoxy)propyl] phosphate
CID 3462389
diphenyl silyl phosphate
CID 71371486
tris(4-phenoxyphenyl) phosphate
CID 70576220
CID 175741196
CID 175741196
[3-(1-chloro-2,2,2-trifluoroethyl)phenyl] diphenyl phosphate
CID 3266050

Frequently Asked Questions

What is the IUPAC name of benzhydryl diphenyl phosphate?
The IUPAC name of benzhydryl diphenyl phosphate (CID 13353620) is benzhydryl diphenyl phosphate.
What is the SMILES notation for benzhydryl diphenyl phosphate?
The canonical SMILES for benzhydryl diphenyl phosphate is O=P(Oc1ccccc1)(Oc1ccccc1)OC(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl diphenyl phosphate?
The InChIKey is ZYMQQEMUJKICDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21O4P/c26-30(27-23-17-9-3-10-18-23,28-24-19-11-4-12-20-24)29-25(21-13-5-1-6-14-21)22-15-7-2-8-16-22/h1-20,25H.
What are the key properties of benzhydryl diphenyl phosphate?
benzhydryl diphenyl phosphate has a molecular weight of 416.41 g/mol, XLogP of 7.06, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl diphenyl phosphate is sourced from PubChem (CID 13353620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).