benzyl phenyl phosphono phosphate

C13H14O7P2 — CID 150753839

IUPACbenzyl phenyl phosphono phosphate
SMILESO=P(O)(O)OP(=O)(OCc1ccccc1)Oc1ccccc1
InChIInChI=1S/C13H14O7P2/c14-21(15,16)20-22(17,19-13-9-5-2-6-10-13)18-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,14,15,16)
InChIKeyJWKWOVXYEPZZKH-UHFFFAOYSA-N
MW344.20 g/mol
LogP3.50
Rot. Bonds7

About benzyl phenyl phosphono phosphate

benzyl phenyl phosphono phosphate (PubChem CID 150753839) has the molecular formula C13H14O7P2 and a molecular weight of 344.20 g/mol. Its IUPAC name is benzyl phenyl phosphono phosphate.

Molecular Properties

Compound Namebenzyl phenyl phosphono phosphate
PubChem CID150753839
Molecular FormulaC13H14O7P2
Molecular Weight344.20 g/mol
Exact Mass344.02
IUPAC Namebenzyl phenyl phosphono phosphate
SMILESO=P(O)(O)OP(=O)(OCc1ccccc1)Oc1ccccc1
InChIInChI=1S/C13H14O7P2/c14-21(15,16)20-22(17,19-13-9-5-2-6-10-13)18-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,14,15,16)
InChIKeyJWKWOVXYEPZZKH-UHFFFAOYSA-N
XLogP3.50
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

phenyl phosphono prop-2-enyl phosphate
CID 88721079
benzyl ethenyl phosphono phosphate
CID 138678243
octadecyl phenyl phosphono phosphate
CID 174802974
[4-bis(phenylmethoxy)phosphoryloxyphenyl] acetate
CID 163952948
dibenzyl hydrogen phosphate;silver
CID 85301331
benzyl bis(2-phenoxyethyl) phosphate
CID 159104458
[hydroxy(phenylmethoxy)phosphoryl]phosphonic acid
CID 87473581
methane;phenyl phosphono hydrogen phosphate
CID 88820079
2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821
2-phenylethylbenzene;phosphono dihydrogen phosphate
CID 174463104
[(2R,3S,5R,6R)-3,5-dihydroxy-2,4,6-tris(phenylmethoxy)cyclohexyl] diphenyl phosphate
CID 11422539
dibenzyl [(1R,2S,3R,4S,5S,6R)-2-bis(phenylmethoxy)phosphoryloxy-4,5-dihydroxy-3,6-bis(phenylmethoxy)cyclohexyl] phosphate
CID 10629497

Frequently Asked Questions

What is the IUPAC name of benzyl phenyl phosphono phosphate?
The IUPAC name of benzyl phenyl phosphono phosphate (CID 150753839) is benzyl phenyl phosphono phosphate.
What is the SMILES notation for benzyl phenyl phosphono phosphate?
The canonical SMILES for benzyl phenyl phosphono phosphate is O=P(O)(O)OP(=O)(OCc1ccccc1)Oc1ccccc1.
What is the InChIKey of benzyl phenyl phosphono phosphate?
The InChIKey is JWKWOVXYEPZZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O7P2/c14-21(15,16)20-22(17,19-13-9-5-2-6-10-13)18-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,14,15,16).
What are the key properties of benzyl phenyl phosphono phosphate?
benzyl phenyl phosphono phosphate has a molecular weight of 344.20 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl phenyl phosphono phosphate is sourced from PubChem (CID 150753839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).