(E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)diazenyl]-3-hydroxyprop-2-en-1-one

C15H10ClFN2O2 — CID 135713788

IUPAC(E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)diazenyl]-3-hydroxyprop-2-en-1-one
SMILESO=C(C(=C\O)/N=N/c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClFN2O2/c16-11-3-1-10(2-4-11)15(21)14(9-20)19-18-13-7-5-12(17)6-8-13/h1-9,20H/b14-9+,19-18+
InChIKeyWIWDZKDHLVWMDH-VJUOCIDTSA-N
MW304.71 g/mol
LogP4.85
Rot. Bonds4

About (E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)diazenyl]-3-hydroxyprop-2-en-1-one

(E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)diazenyl]-3-hydroxyprop-2-en-1-one (PubChem CID 135713788) has the molecular formula C15H10ClFN2O2 and a molecular weight of 304.71 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)diazenyl]-3-hydroxyprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)diazenyl]-3-hydroxyprop-2-en-1-one
PubChem CID135713788
Molecular FormulaC15H10ClFN2O2
Molecular Weight304.71 g/mol
Exact Mass304.04
IUPAC Name(E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)diazenyl]-3-hydroxyprop-2-en-1-one
SMILESO=C(C(=C\O)/N=N/c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H10ClFN2O2/c16-11-3-1-10(2-4-11)15(21)14(9-20)19-18-13-7-5-12(17)6-8-13/h1-9,20H/b14-9+,19-18+
InChIKeyWIWDZKDHLVWMDH-VJUOCIDTSA-N
XLogP4.85
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chlorophenyl)diazenyl]-3-hydroxy-1-phenylprop-2-en-1-one
CID 135463888
(Z)-1-(4-bromophenyl)-2-[(3,5-dichlorophenyl)diazenyl]-3-hydroxyprop-2-en-1-one
CID 135526921
2-[(4-chlorophenyl)diazenyl]-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one
CID 135481966
3-hydroxy-2-phenyldiazenyl-1-pyridin-4-ylprop-2-en-1-one
CID 135414768
(E)-3-hydroxy-2-[(4-methoxyphenyl)diazenyl]-1-phenylprop-2-en-1-one
CID 135548536
(E)-3-hydroxy-1-(4-methoxyphenyl)-2-phenyldiazenylprop-2-en-1-one
CID 135550150
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
2-(4-fluorophenyl)-2-oxoacetyl chloride
CID 20638620
2-(4-chlorophenyl)-2-oxoacetate
CID 18626556
(2E,3E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)hydrazinylidene]-3-hydrazinylidenepropan-1-one
CID 96890730
4-chloro-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 5156367
2-(2,5-dichlorophenyl)-1-(4-fluorophenyl)ethanone
CID 65316679

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)diazenyl]-3-hydroxyprop-2-en-1-one?
The IUPAC name of (E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)diazenyl]-3-hydroxyprop-2-en-1-one (CID 135713788) is (E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)diazenyl]-3-hydroxyprop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)diazenyl]-3-hydroxyprop-2-en-1-one?
The canonical SMILES for (E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)diazenyl]-3-hydroxyprop-2-en-1-one is O=C(C(=C\O)/N=N/c1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of (E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)diazenyl]-3-hydroxyprop-2-en-1-one?
The InChIKey is WIWDZKDHLVWMDH-VJUOCIDTSA-N. The full InChI is InChI=1S/C15H10ClFN2O2/c16-11-3-1-10(2-4-11)15(21)14(9-20)19-18-13-7-5-12(17)6-8-13/h1-9,20H/b14-9+,19-18+.
What are the key properties of (E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)diazenyl]-3-hydroxyprop-2-en-1-one?
(E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)diazenyl]-3-hydroxyprop-2-en-1-one has a molecular weight of 304.71 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)diazenyl]-3-hydroxyprop-2-en-1-one is sourced from PubChem (CID 135713788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).