dihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one

C15H14O4P+ — CID 174799278

IUPACdihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1ccccc1.O=[P+](O)O
InChIInChI=1S/C15H12O.HO3P/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;1-4(2)3/h1-12H;(H-,1,2,3)/p+1/b12-11+;
InChIKeyUDPOYFOERNFDMI-CALJPSDSSA-O
MW289.25 g/mol
LogP3.21
Rot. Bonds3

About dihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one

dihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one (PubChem CID 174799278) has the molecular formula C15H14O4P+ and a molecular weight of 289.25 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one
PubChem CID174799278
Molecular FormulaC15H14O4P+
Molecular Weight289.25 g/mol
Exact Mass289.06
IUPAC Namedihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1ccccc1.O=[P+](O)O
InChIInChI=1S/C15H12O.HO3P/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;1-4(2)3/h1-12H;(H-,1,2,3)/p+1/b12-11+;
InChIKeyUDPOYFOERNFDMI-CALJPSDSSA-O
XLogP3.21
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
1,3-diphenylprop-2-en-1-one;1-phenylethanone
CID 174503115
1,3-diphenylprop-2-en-1-one;ethanol
CID 146424659
(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one
CID 639832
1,3-diphenylprop-2-en-1-one;1H-pyrrole
CID 70390442
(E)-1,3-diphenylprop-2-en-1-one;ethane;propane;(E)-stilbene
CID 163750701
(Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one
CID 7292267
4-(3-oxo-3-phenylprop-1-enyl)benzoic acid;hydrochloride
CID 70593745
(E)-3-phenyl-1-pyridin-4-ylprop-2-en-1-one
CID 5355548
1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 67873183

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one?
The IUPAC name of dihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one (CID 174799278) is dihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one.
What is the SMILES notation for dihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one?
The canonical SMILES for dihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one is O=C(/C=C/c1ccccc1)c1ccccc1.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one?
The InChIKey is UDPOYFOERNFDMI-CALJPSDSSA-O. The full InChI is InChI=1S/C15H12O.HO3P/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;1-4(2)3/h1-12H;(H-,1,2,3)/p+1/b12-11+;.
What are the key properties of dihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one?
dihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one has a molecular weight of 289.25 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 174799278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).