dibenzyl (2-hydroxy-3-phenylmethoxypropyl) phosphate

C24H27O6P — CID 11487549

IUPACdibenzyl (2-hydroxy-3-phenylmethoxypropyl) phosphate
SMILESO=P(OCc1ccccc1)(OCc1ccccc1)OCC(O)COCc1ccccc1
InChIInChI=1S/C24H27O6P/c25-24(19-27-16-21-10-4-1-5-11-21)20-30-31(26,28-17-22-12-6-2-7-13-22)29-18-23-14-8-3-9-15-23/h1-15,24-25H,16-20H2
InChIKeyHQDZQHOFDXGDBV-UHFFFAOYSA-N
MW442.45 g/mol
LogP5.12
Rot. Bonds13

About dibenzyl (2-hydroxy-3-phenylmethoxypropyl) phosphate

dibenzyl (2-hydroxy-3-phenylmethoxypropyl) phosphate (PubChem CID 11487549) has the molecular formula C24H27O6P and a molecular weight of 442.45 g/mol. Its IUPAC name is dibenzyl (2-hydroxy-3-phenylmethoxypropyl) phosphate.

Molecular Properties

Compound Namedibenzyl (2-hydroxy-3-phenylmethoxypropyl) phosphate
PubChem CID11487549
Molecular FormulaC24H27O6P
Molecular Weight442.45 g/mol
Exact Mass442.15
IUPAC Namedibenzyl (2-hydroxy-3-phenylmethoxypropyl) phosphate
SMILESO=P(OCc1ccccc1)(OCc1ccccc1)OCC(O)COCc1ccccc1
InChIInChI=1S/C24H27O6P/c25-24(19-27-16-21-10-4-1-5-11-21)20-30-31(26,28-17-22-12-6-2-7-13-22)29-18-23-14-8-3-9-15-23/h1-15,24-25H,16-20H2
InChIKeyHQDZQHOFDXGDBV-UHFFFAOYSA-N
XLogP5.12
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.45
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl bis(2,3-dihydroxypropyl) phosphate
CID 71386404
dibenzyl [(2R,3S,4R)-2,3,4-trihydroxyhexyl] phosphate
CID 10669267
CID 172760983
CID 172760983
1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol
CID 106939746
1-bis(phenylmethoxy)phosphoryloxypropan-2-yl acetate
CID 91289517
2-phenylmethoxyethane-1,1-diol
CID 59866645
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
dibenzyl [hydroxy(phenylmethoxy)methyl] phosphate
CID 167070961
1-amino-3-phenylmethoxypropan-2-ol;oxalic acid
CID 46735900
1-(oxiran-2-ylmethoxy)-3-phenylmethoxypropan-2-ol
CID 162405278
(2S)-1-phenylmethoxy-3-trityloxypropan-2-ol
CID 11582634
dibenzyl [3-bis(phenylmethoxy)phosphoryloxy-2-(2-methoxyethoxy)propyl] phosphate
CID 88543969

Frequently Asked Questions

What is the IUPAC name of dibenzyl (2-hydroxy-3-phenylmethoxypropyl) phosphate?
The IUPAC name of dibenzyl (2-hydroxy-3-phenylmethoxypropyl) phosphate (CID 11487549) is dibenzyl (2-hydroxy-3-phenylmethoxypropyl) phosphate.
What is the SMILES notation for dibenzyl (2-hydroxy-3-phenylmethoxypropyl) phosphate?
The canonical SMILES for dibenzyl (2-hydroxy-3-phenylmethoxypropyl) phosphate is O=P(OCc1ccccc1)(OCc1ccccc1)OCC(O)COCc1ccccc1.
What is the InChIKey of dibenzyl (2-hydroxy-3-phenylmethoxypropyl) phosphate?
The InChIKey is HQDZQHOFDXGDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27O6P/c25-24(19-27-16-21-10-4-1-5-11-21)20-30-31(26,28-17-22-12-6-2-7-13-22)29-18-23-14-8-3-9-15-23/h1-15,24-25H,16-20H2.
What are the key properties of dibenzyl (2-hydroxy-3-phenylmethoxypropyl) phosphate?
dibenzyl (2-hydroxy-3-phenylmethoxypropyl) phosphate has a molecular weight of 442.45 g/mol, XLogP of 5.12, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl (2-hydroxy-3-phenylmethoxypropyl) phosphate is sourced from PubChem (CID 11487549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).