3-hydroxy-2-nitroso-1,3-diphenylprop-2-en-1-one

C15H11NO3 — CID 135485256

IUPAC3-hydroxy-2-nitroso-1,3-diphenylprop-2-en-1-one
SMILESO=NC(C(=O)c1ccccc1)=C(O)c1ccccc1
InChIInChI=1S/C15H11NO3/c17-14(11-7-3-1-4-8-11)13(16-19)15(18)12-9-5-2-6-10-12/h1-10,17H
InChIKeyADFQIYCDAFJWMW-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.56
Rot. Bonds4

About 3-hydroxy-2-nitroso-1,3-diphenylprop-2-en-1-one

3-hydroxy-2-nitroso-1,3-diphenylprop-2-en-1-one (PubChem CID 135485256) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-hydroxy-2-nitroso-1,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name3-hydroxy-2-nitroso-1,3-diphenylprop-2-en-1-one
PubChem CID135485256
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name3-hydroxy-2-nitroso-1,3-diphenylprop-2-en-1-one
SMILESO=NC(C(=O)c1ccccc1)=C(O)c1ccccc1
InChIInChI=1S/C15H11NO3/c17-14(11-7-3-1-4-8-11)13(16-19)15(18)12-9-5-2-6-10-12/h1-10,17H
InChIKeyADFQIYCDAFJWMW-UHFFFAOYSA-N
XLogP3.56
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-hydroxy-1,3-diphenyl-2-phenyldiazenylprop-2-en-1-one
CID 135514875
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;sulfane
CID 159672950
1,2-diphenylethane-1,2-dione;iron
CID 70488368
(Z)-2-[(2,6-dichlorophenyl)diazenyl]-3-hydroxy-1,3-diphenylprop-2-en-1-one
CID 136697362
3-hydroxy-2-nitroso-1-phenylprop-2-en-1-one
CID 151303538
(E)-3-hydroxy-2-[(4-phenoxyphenyl)diazenyl]-1,3-diphenylprop-2-en-1-one
CID 135643063
bis(1,2-diphenylethane-1,2-dione);silylidenezirconium
CID 158973097
(E)-2-[(3,4-dichlorophenyl)diazenyl]-3-hydroxy-1,3-diphenylprop-2-en-1-one
CID 137208393

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-nitroso-1,3-diphenylprop-2-en-1-one?
The IUPAC name of 3-hydroxy-2-nitroso-1,3-diphenylprop-2-en-1-one (CID 135485256) is 3-hydroxy-2-nitroso-1,3-diphenylprop-2-en-1-one.
What is the SMILES notation for 3-hydroxy-2-nitroso-1,3-diphenylprop-2-en-1-one?
The canonical SMILES for 3-hydroxy-2-nitroso-1,3-diphenylprop-2-en-1-one is O=NC(C(=O)c1ccccc1)=C(O)c1ccccc1.
What is the InChIKey of 3-hydroxy-2-nitroso-1,3-diphenylprop-2-en-1-one?
The InChIKey is ADFQIYCDAFJWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-14(11-7-3-1-4-8-11)13(16-19)15(18)12-9-5-2-6-10-12/h1-10,17H.
What are the key properties of 3-hydroxy-2-nitroso-1,3-diphenylprop-2-en-1-one?
3-hydroxy-2-nitroso-1,3-diphenylprop-2-en-1-one has a molecular weight of 253.26 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-nitroso-1,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 135485256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).