[phenyl(phosphonooxy)methyl] dihydrogen phosphate

C7H10O8P2 — CID 141454803

IUPAC[phenyl(phosphonooxy)methyl] dihydrogen phosphate
SMILESO=P(O)(O)OC(OP(=O)(O)O)c1ccccc1
InChIInChI=1S/C7H10O8P2/c8-16(9,10)14-7(15-17(11,12)13)6-4-2-1-3-5-6/h1-5,7H,(H2,8,9,10)(H2,11,12,13)
InChIKeyFGXFWKYMRLQUIU-UHFFFAOYSA-N
MW284.10 g/mol
LogP0.90
Rot. Bonds5

About [phenyl(phosphonooxy)methyl] dihydrogen phosphate

[phenyl(phosphonooxy)methyl] dihydrogen phosphate (PubChem CID 141454803) has the molecular formula C7H10O8P2 and a molecular weight of 284.10 g/mol. Its IUPAC name is [phenyl(phosphonooxy)methyl] dihydrogen phosphate.

Molecular Properties

Compound Name[phenyl(phosphonooxy)methyl] dihydrogen phosphate
PubChem CID141454803
Molecular FormulaC7H10O8P2
Molecular Weight284.10 g/mol
Exact Mass283.99
IUPAC Name[phenyl(phosphonooxy)methyl] dihydrogen phosphate
SMILESO=P(O)(O)OC(OP(=O)(O)O)c1ccccc1
InChIInChI=1S/C7H10O8P2/c8-16(9,10)14-7(15-17(11,12)13)6-4-2-1-3-5-6/h1-5,7H,(H2,8,9,10)(H2,11,12,13)
InChIKeyFGXFWKYMRLQUIU-UHFFFAOYSA-N
XLogP0.90
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[phenyl(phenylmethoxy)methyl] dihydrogen phosphate
CID 67285641
[fluoro(phenyl)methyl] dihydrogen phosphate
CID 19734110
[(E)-1,3-diphenylprop-2-enyl] dihydrogen phosphate
CID 175349156
[(4-chlorophenyl)-methoxymethyl] dihydrogen phosphate
CID 175482613
methyl(1-phenylethoxy)phosphinic acid
CID 154330211
1-dibenzhydryloxyphosphorylethanol
CID 13148202
diphenylmethanamine;phosphoric acid
CID 67153031
1-[phenyl(undecoxy)methoxy]propyl dihydrogen phosphate
CID 139431134
sodium;hydride;1-phenyldodecyl dihydrogen phosphate
CID 174145365
[bromo(phenyl)methyl]phosphonic acid
CID 11736830
[(1S)-1-phenylethyl]phosphonic acid
CID 10511745
dimethylphosphoryl(phenyl)methanol
CID 58658737

Frequently Asked Questions

What is the IUPAC name of [phenyl(phosphonooxy)methyl] dihydrogen phosphate?
The IUPAC name of [phenyl(phosphonooxy)methyl] dihydrogen phosphate (CID 141454803) is [phenyl(phosphonooxy)methyl] dihydrogen phosphate.
What is the SMILES notation for [phenyl(phosphonooxy)methyl] dihydrogen phosphate?
The canonical SMILES for [phenyl(phosphonooxy)methyl] dihydrogen phosphate is O=P(O)(O)OC(OP(=O)(O)O)c1ccccc1.
What is the InChIKey of [phenyl(phosphonooxy)methyl] dihydrogen phosphate?
The InChIKey is FGXFWKYMRLQUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O8P2/c8-16(9,10)14-7(15-17(11,12)13)6-4-2-1-3-5-6/h1-5,7H,(H2,8,9,10)(H2,11,12,13).
What are the key properties of [phenyl(phosphonooxy)methyl] dihydrogen phosphate?
[phenyl(phosphonooxy)methyl] dihydrogen phosphate has a molecular weight of 284.10 g/mol, XLogP of 0.90, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl(phosphonooxy)methyl] dihydrogen phosphate is sourced from PubChem (CID 141454803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).