[(E)-1,3-diphenylprop-2-enyl] dihydrogen phosphate

C15H15O4P — CID 175349156

IUPAC[(E)-1,3-diphenylprop-2-enyl] dihydrogen phosphate
SMILESO=P(O)(O)OC(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15O4P/c16-20(17,18)19-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12,15H,(H2,16,17,18)/b12-11+
InChIKeyFJLKGNPZYNBMKE-VAWYXSNFSA-N
MW290.26 g/mol
LogP3.55
Rot. Bonds5

About [(E)-1,3-diphenylprop-2-enyl] dihydrogen phosphate

[(E)-1,3-diphenylprop-2-enyl] dihydrogen phosphate (PubChem CID 175349156) has the molecular formula C15H15O4P and a molecular weight of 290.26 g/mol. Its IUPAC name is [(E)-1,3-diphenylprop-2-enyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(E)-1,3-diphenylprop-2-enyl] dihydrogen phosphate
PubChem CID175349156
Molecular FormulaC15H15O4P
Molecular Weight290.26 g/mol
Exact Mass290.07
IUPAC Name[(E)-1,3-diphenylprop-2-enyl] dihydrogen phosphate
SMILESO=P(O)(O)OC(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C15H15O4P/c16-20(17,18)19-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12,15H,(H2,16,17,18)/b12-11+
InChIKeyFJLKGNPZYNBMKE-VAWYXSNFSA-N
XLogP3.55
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-1-methoxy-3-phenylprop-2-enyl]benzene
CID 10353588
[(E)-1,3-diphenylprop-2-enoxy]benzene
CID 11289166
[phenyl(phosphonooxy)methyl] dihydrogen phosphate
CID 141454803
[(E,1S)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid
CID 11106709
[(E,1R)-1-ethoxy-3-phenylprop-2-enyl]benzene
CID 100939369
[(E,1S)-1-amino-3-phenylprop-2-enyl]phosphonic acid
CID 71653547
N-[(E)-1,3-diphenylprop-2-enoxy]-1,1-diphenylmethanimine
CID 45378873
[fluoro(phenyl)methyl] dihydrogen phosphate
CID 19734110
[(E)-1,3-diphenylprop-2-enyl] 4-tert-butylbenzoate
CID 101260855
(2R)-2,4-diphenylbut-3-enoic acid
CID 3246496
tert-butyl-[(E)-1,3-diphenylprop-2-enoxy]-diphenylsilane
CID 135009658
[(E,1S)-1,3-diphenylprop-2-enyl] 4-methylbenzenesulfinate
CID 11484850

Frequently Asked Questions

What is the IUPAC name of [(E)-1,3-diphenylprop-2-enyl] dihydrogen phosphate?
The IUPAC name of [(E)-1,3-diphenylprop-2-enyl] dihydrogen phosphate (CID 175349156) is [(E)-1,3-diphenylprop-2-enyl] dihydrogen phosphate.
What is the SMILES notation for [(E)-1,3-diphenylprop-2-enyl] dihydrogen phosphate?
The canonical SMILES for [(E)-1,3-diphenylprop-2-enyl] dihydrogen phosphate is O=P(O)(O)OC(/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-1,3-diphenylprop-2-enyl] dihydrogen phosphate?
The InChIKey is FJLKGNPZYNBMKE-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H15O4P/c16-20(17,18)19-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12,15H,(H2,16,17,18)/b12-11+.
What are the key properties of [(E)-1,3-diphenylprop-2-enyl] dihydrogen phosphate?
[(E)-1,3-diphenylprop-2-enyl] dihydrogen phosphate has a molecular weight of 290.26 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1,3-diphenylprop-2-enyl] dihydrogen phosphate is sourced from PubChem (CID 175349156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).