[phenyl(phenylmethoxy)methyl] dihydrogen phosphate

C14H15O5P — CID 67285641

IUPAC[phenyl(phenylmethoxy)methyl] dihydrogen phosphate
SMILESO=P(O)(O)OC(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C14H15O5P/c15-20(16,17)19-14(13-9-5-2-6-10-13)18-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H2,15,16,17)
InChIKeyCTAJEAMAFXSPPQ-UHFFFAOYSA-N
MW294.24 g/mol
LogP3.01
Rot. Bonds6

About [phenyl(phenylmethoxy)methyl] dihydrogen phosphate

[phenyl(phenylmethoxy)methyl] dihydrogen phosphate (PubChem CID 67285641) has the molecular formula C14H15O5P and a molecular weight of 294.24 g/mol. Its IUPAC name is [phenyl(phenylmethoxy)methyl] dihydrogen phosphate.

Molecular Properties

Compound Name[phenyl(phenylmethoxy)methyl] dihydrogen phosphate
PubChem CID67285641
Molecular FormulaC14H15O5P
Molecular Weight294.24 g/mol
Exact Mass294.07
IUPAC Name[phenyl(phenylmethoxy)methyl] dihydrogen phosphate
SMILESO=P(O)(O)OC(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C14H15O5P/c15-20(16,17)19-14(13-9-5-2-6-10-13)18-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H2,15,16,17)
InChIKeyCTAJEAMAFXSPPQ-UHFFFAOYSA-N
XLogP3.01
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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(phosphonooxy)methyl] dihydrogen phosphate
CID 141454803
1-phenylmethoxypropyl dihydrogen phosphate
CID 139431115
benzhydryloxymethylbenzene
CID 11437288
1-phenylmethoxyethylphosphonic acid
CID 174787824
4-[bis(phenylmethoxy)methyl]benzaldehyde
CID 54422939
phenylmethoxymethylbenzene;phosphoric acid
CID 141118417
[fluoro(phenyl)methyl] dihydrogen phosphate
CID 19734110
dibenzyl [hydroxy(phenylmethoxy)methyl] phosphate
CID 167070961
bis(1,2-diphenylethyl) hydrogen phosphate
CID 175237263
(1R,2R)-2-diethoxyphosphoryl-1-phenyl-2-phenylmethoxyethanol
CID 102333800
[4-[[5-[(4-benzoylphenyl)methoxy-phenylmethoxy]pentoxy-phenylmethoxy]methyl]phenyl]-phenylmethanone
CID 153324958
dibenzyl hydrogen phosphate;silver
CID 85301331

Frequently Asked Questions

What is the IUPAC name of [phenyl(phenylmethoxy)methyl] dihydrogen phosphate?
The IUPAC name of [phenyl(phenylmethoxy)methyl] dihydrogen phosphate (CID 67285641) is [phenyl(phenylmethoxy)methyl] dihydrogen phosphate.
What is the SMILES notation for [phenyl(phenylmethoxy)methyl] dihydrogen phosphate?
The canonical SMILES for [phenyl(phenylmethoxy)methyl] dihydrogen phosphate is O=P(O)(O)OC(OCc1ccccc1)c1ccccc1.
What is the InChIKey of [phenyl(phenylmethoxy)methyl] dihydrogen phosphate?
The InChIKey is CTAJEAMAFXSPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O5P/c15-20(16,17)19-14(13-9-5-2-6-10-13)18-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H2,15,16,17).
What are the key properties of [phenyl(phenylmethoxy)methyl] dihydrogen phosphate?
[phenyl(phenylmethoxy)methyl] dihydrogen phosphate has a molecular weight of 294.24 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl(phenylmethoxy)methyl] dihydrogen phosphate is sourced from PubChem (CID 67285641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).