2-[(4-chlorophenyl)diazenyl]-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one

C13H9ClN2O3 — CID 135481966

IUPAC2-[(4-chlorophenyl)diazenyl]-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one
SMILESO=C(C(=CO)/N=N/c1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C13H9ClN2O3/c14-9-3-5-10(6-4-9)15-16-11(8-17)13(18)12-2-1-7-19-12/h1-8,17H/b11-8?,16-15+
InChIKeySDDSYNUMPRGDJX-VNVSJKAVSA-N
MW276.68 g/mol
LogP4.30
Rot. Bonds4

About 2-[(4-chlorophenyl)diazenyl]-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one

2-[(4-chlorophenyl)diazenyl]-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one (PubChem CID 135481966) has the molecular formula C13H9ClN2O3 and a molecular weight of 276.68 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)diazenyl]-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one.

Molecular Properties

Compound Name2-[(4-chlorophenyl)diazenyl]-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one
PubChem CID135481966
Molecular FormulaC13H9ClN2O3
Molecular Weight276.68 g/mol
Exact Mass276.03
IUPAC Name2-[(4-chlorophenyl)diazenyl]-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one
SMILESO=C(C(=CO)/N=N/c1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C13H9ClN2O3/c14-9-3-5-10(6-4-9)15-16-11(8-17)13(18)12-2-1-7-19-12/h1-8,17H/b11-8?,16-15+
InChIKeySDDSYNUMPRGDJX-VNVSJKAVSA-N
XLogP4.30
TPSA75.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
(E)-1-(furan-2-yl)-3-hydroxy-2-[(3-methylphenyl)diazenyl]prop-2-en-1-one
CID 135780099
(E)-1-(4-chlorophenyl)-2-[(4-fluorophenyl)diazenyl]-3-hydroxyprop-2-en-1-one
CID 135713788
N'-(4-bromophenyl)-N-(4-chloroanilino)-2-(furan-2-yl)-2-oxoethanimidamide
CID 16718538
3-(4-chlorophenyl)-1-(furan-2-yl)propan-1-one
CID 175418899
2-(4-chlorophenyl)-1-(furan-2-yl)ethanone
CID 11096153
3-[(4-chlorophenyl)iminomethyl]-1,1,1-trifluoro-4-(furan-2-yl)-4-hydroxybut-3-en-2-one
CID 135496697
(Z)-1-(4-bromophenyl)-2-[(3,5-dichlorophenyl)diazenyl]-3-hydroxyprop-2-en-1-one
CID 135526921
2-(furan-2-yl)-2-oxoethanethioic S-acid
CID 171037460
(2E)-1,2-bis(furan-2-yl)-2-hydroxyiminoethanone
CID 6401304
N'-(4-chlorophenyl)furan-2-carbohydrazide
CID 3043690
(E)-3-[[(4-chlorophenyl)-methyl-oxo-λ6-sulfanylidene]amino]-2-(furan-2-carbonyl)prop-2-enenitrile
CID 42554977

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)diazenyl]-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one?
The IUPAC name of 2-[(4-chlorophenyl)diazenyl]-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one (CID 135481966) is 2-[(4-chlorophenyl)diazenyl]-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one.
What is the SMILES notation for 2-[(4-chlorophenyl)diazenyl]-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one?
The canonical SMILES for 2-[(4-chlorophenyl)diazenyl]-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one is O=C(C(=CO)/N=N/c1ccc(Cl)cc1)c1ccco1.
What is the InChIKey of 2-[(4-chlorophenyl)diazenyl]-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one?
The InChIKey is SDDSYNUMPRGDJX-VNVSJKAVSA-N. The full InChI is InChI=1S/C13H9ClN2O3/c14-9-3-5-10(6-4-9)15-16-11(8-17)13(18)12-2-1-7-19-12/h1-8,17H/b11-8?,16-15+.
What are the key properties of 2-[(4-chlorophenyl)diazenyl]-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one?
2-[(4-chlorophenyl)diazenyl]-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one has a molecular weight of 276.68 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)diazenyl]-1-(furan-2-yl)-3-hydroxyprop-2-en-1-one is sourced from PubChem (CID 135481966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).