diphenylphosphanyl dipropan-2-yl phosphate

C18H24O4P2 — CID 175161327

IUPACdiphenylphosphanyl dipropan-2-yl phosphate
SMILESCC(C)OP(=O)(OC(C)C)OP(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H24O4P2/c1-15(2)20-24(19,21-16(3)4)22-23(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16H,1-4H3
InChIKeyAMBLHFMGVNRLEG-UHFFFAOYSA-N
MW366.33 g/mol
LogP5.01
Rot. Bonds8

About diphenylphosphanyl dipropan-2-yl phosphate

diphenylphosphanyl dipropan-2-yl phosphate (PubChem CID 175161327) has the molecular formula C18H24O4P2 and a molecular weight of 366.33 g/mol. Its IUPAC name is diphenylphosphanyl dipropan-2-yl phosphate.

Molecular Properties

Compound Namediphenylphosphanyl dipropan-2-yl phosphate
PubChem CID175161327
Molecular FormulaC18H24O4P2
Molecular Weight366.33 g/mol
Exact Mass366.11
IUPAC Namediphenylphosphanyl dipropan-2-yl phosphate
SMILESCC(C)OP(=O)(OC(C)C)OP(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H24O4P2/c1-15(2)20-24(19,21-16(3)4)22-23(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16H,1-4H3
InChIKeyAMBLHFMGVNRLEG-UHFFFAOYSA-N
XLogP5.01
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.33
LogP ≤ 55.01
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

3-di(propan-2-yloxy)phosphorylpropyl-diphenylphosphane
CID 15770151
[methyl(propan-2-yloxy)phosphoryl]methylbenzene
CID 11769791
benzylsulfanyl dipropan-2-yl phosphate
CID 57006297
[propan-2-yl(propan-2-yloxy)phosphoryl]benzene
CID 21317872
bis(2,6-dimethylphenyl) propan-2-yl phosphate
CID 160920059
[tert-butyl(propan-2-yloxy)phosphoryl]benzene
CID 57270314
(4-nitrophenyl) phenyl propan-2-yl phosphate
CID 11393558
(2,3,4,5,6-pentafluorophenoxy) phenoxy propan-2-yl phosphate
CID 175839555
diphenyl(1-phenylpropan-2-yloxy)phosphane
CID 86075511
2-methylpropane;triphenyl phosphate
CID 91193965
[2-di(propan-2-yloxy)phosphoryl-1,2-diphenylethenyl]benzene
CID 102258998
[methyl(propan-2-yloxy)phosphoryl]oxymethylbenzene
CID 87190158

Frequently Asked Questions

What is the IUPAC name of diphenylphosphanyl dipropan-2-yl phosphate?
The IUPAC name of diphenylphosphanyl dipropan-2-yl phosphate (CID 175161327) is diphenylphosphanyl dipropan-2-yl phosphate.
What is the SMILES notation for diphenylphosphanyl dipropan-2-yl phosphate?
The canonical SMILES for diphenylphosphanyl dipropan-2-yl phosphate is CC(C)OP(=O)(OC(C)C)OP(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylphosphanyl dipropan-2-yl phosphate?
The InChIKey is AMBLHFMGVNRLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O4P2/c1-15(2)20-24(19,21-16(3)4)22-23(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16H,1-4H3.
What are the key properties of diphenylphosphanyl dipropan-2-yl phosphate?
diphenylphosphanyl dipropan-2-yl phosphate has a molecular weight of 366.33 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphanyl dipropan-2-yl phosphate is sourced from PubChem (CID 175161327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).