dibenzyl (1-oxo-1-phenylpropan-2-yl) phosphate

C23H23O5P — CID 59169038

IUPACdibenzyl (1-oxo-1-phenylpropan-2-yl) phosphate
SMILESCC(OP(=O)(OCc1ccccc1)OCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C23H23O5P/c1-19(23(24)22-15-9-4-10-16-22)28-29(25,26-17-20-11-5-2-6-12-20)27-18-21-13-7-3-8-14-21/h2-16,19H,17-18H2,1H3
InChIKeyOPTPMELAZZKKBI-UHFFFAOYSA-N
MW410.41 g/mol
LogP5.82
Rot. Bonds10

About dibenzyl (1-oxo-1-phenylpropan-2-yl) phosphate

dibenzyl (1-oxo-1-phenylpropan-2-yl) phosphate (PubChem CID 59169038) has the molecular formula C23H23O5P and a molecular weight of 410.41 g/mol. Its IUPAC name is dibenzyl (1-oxo-1-phenylpropan-2-yl) phosphate.

Molecular Properties

Compound Namedibenzyl (1-oxo-1-phenylpropan-2-yl) phosphate
PubChem CID59169038
Molecular FormulaC23H23O5P
Molecular Weight410.41 g/mol
Exact Mass410.13
IUPAC Namedibenzyl (1-oxo-1-phenylpropan-2-yl) phosphate
SMILESCC(OP(=O)(OCc1ccccc1)OCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C23H23O5P/c1-19(23(24)22-15-9-4-10-16-22)28-29(25,26-17-20-11-5-2-6-12-20)27-18-21-13-7-3-8-14-21/h2-16,19H,17-18H2,1H3
InChIKeyOPTPMELAZZKKBI-UHFFFAOYSA-N
XLogP5.82
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.41
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dimethyl (1-oxo-1-phenylpropan-2-yl) phosphate
CID 132992304
dibenzyl 1-[di(propan-2-yl)amino]ethyl phosphate
CID 174331135
dibenzyl [hydroxy(phenylmethoxy)methyl] phosphate
CID 167070961
1-bis(phenylmethoxy)phosphoryloxypropan-2-yl acetate
CID 91289517
(2R)-2-methyl-1-phenyl-3-phenylmethoxypropan-1-one
CID 12630921
2-[(4-bromophenyl)methoxy]-1-phenylpropan-1-one
CID 82826900
3-hydroxy-2-methyl-1-phenyl-4-phenylmethoxybutan-1-one
CID 13378871
[(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 4-phenylmethoxybenzoate
CID 7222135
[methyl(propan-2-yloxy)phosphoryl]oxymethylbenzene
CID 87190158
[4-bis(phenylmethoxy)phosphoryloxyphenyl] acetate
CID 163952948
1-bis(phenylmethoxy)phosphorylethanone
CID 12524609
sodium;hydride;phenacyl(phenylmethoxy)phosphinic acid
CID 174747864

Frequently Asked Questions

What is the IUPAC name of dibenzyl (1-oxo-1-phenylpropan-2-yl) phosphate?
The IUPAC name of dibenzyl (1-oxo-1-phenylpropan-2-yl) phosphate (CID 59169038) is dibenzyl (1-oxo-1-phenylpropan-2-yl) phosphate.
What is the SMILES notation for dibenzyl (1-oxo-1-phenylpropan-2-yl) phosphate?
The canonical SMILES for dibenzyl (1-oxo-1-phenylpropan-2-yl) phosphate is CC(OP(=O)(OCc1ccccc1)OCc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of dibenzyl (1-oxo-1-phenylpropan-2-yl) phosphate?
The InChIKey is OPTPMELAZZKKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23O5P/c1-19(23(24)22-15-9-4-10-16-22)28-29(25,26-17-20-11-5-2-6-12-20)27-18-21-13-7-3-8-14-21/h2-16,19H,17-18H2,1H3.
What are the key properties of dibenzyl (1-oxo-1-phenylpropan-2-yl) phosphate?
dibenzyl (1-oxo-1-phenylpropan-2-yl) phosphate has a molecular weight of 410.41 g/mol, XLogP of 5.82, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl (1-oxo-1-phenylpropan-2-yl) phosphate is sourced from PubChem (CID 59169038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).