(Z)-2-hydroxy-3-oxo-1,3-diphenylprop-1-en-1-olate

C15H11O3- — CID 101387186

IUPAC(Z)-2-hydroxy-3-oxo-1,3-diphenylprop-1-en-1-olate
SMILESO=C(/C(O)=C(/[O-])c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12O3/c16-13(11-7-3-1-4-8-11)15(18)14(17)12-9-5-2-6-10-12/h1-10,16,18H/p-1/b15-13-
InChIKeyVFGLRVWAOAFUGZ-SQFISAMPSA-M
MW239.25 g/mol
LogP2.16
Rot. Bonds3

About (Z)-2-hydroxy-3-oxo-1,3-diphenylprop-1-en-1-olate

(Z)-2-hydroxy-3-oxo-1,3-diphenylprop-1-en-1-olate (PubChem CID 101387186) has the molecular formula C15H11O3- and a molecular weight of 239.25 g/mol. Its IUPAC name is (Z)-2-hydroxy-3-oxo-1,3-diphenylprop-1-en-1-olate.

Molecular Properties

Compound Name(Z)-2-hydroxy-3-oxo-1,3-diphenylprop-1-en-1-olate
PubChem CID101387186
Molecular FormulaC15H11O3-
Molecular Weight239.25 g/mol
Exact Mass239.07
IUPAC Name(Z)-2-hydroxy-3-oxo-1,3-diphenylprop-1-en-1-olate
SMILESO=C(/C(O)=C(/[O-])c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12O3/c16-13(11-7-3-1-4-8-11)15(18)14(17)12-9-5-2-6-10-12/h1-10,16,18H/p-1/b15-13-
InChIKeyVFGLRVWAOAFUGZ-SQFISAMPSA-M
XLogP2.16
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;iron
CID 70488368
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
(E)-1,2-diphenylethene-1,2-diolate
CID 14292352
bis(1,2-diphenylethane-1,2-dione);silylidenezirconium
CID 158973097
cadmium(2+) benzoate
CID 22051861
platinum(4+) tetrabenzoate
CID 173022810
benzoate tetrahydrate
CID 18510013
copper tribenzoate
CID 158096746

Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxy-3-oxo-1,3-diphenylprop-1-en-1-olate?
The IUPAC name of (Z)-2-hydroxy-3-oxo-1,3-diphenylprop-1-en-1-olate (CID 101387186) is (Z)-2-hydroxy-3-oxo-1,3-diphenylprop-1-en-1-olate.
What is the SMILES notation for (Z)-2-hydroxy-3-oxo-1,3-diphenylprop-1-en-1-olate?
The canonical SMILES for (Z)-2-hydroxy-3-oxo-1,3-diphenylprop-1-en-1-olate is O=C(/C(O)=C(/[O-])c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-2-hydroxy-3-oxo-1,3-diphenylprop-1-en-1-olate?
The InChIKey is VFGLRVWAOAFUGZ-SQFISAMPSA-M. The full InChI is InChI=1S/C15H12O3/c16-13(11-7-3-1-4-8-11)15(18)14(17)12-9-5-2-6-10-12/h1-10,16,18H/p-1/b15-13-.
What are the key properties of (Z)-2-hydroxy-3-oxo-1,3-diphenylprop-1-en-1-olate?
(Z)-2-hydroxy-3-oxo-1,3-diphenylprop-1-en-1-olate has a molecular weight of 239.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-3-oxo-1,3-diphenylprop-1-en-1-olate is sourced from PubChem (CID 101387186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).