4-(4-nitrophenyl)-3-(4-propylphenyl)-2H-furan-5-one

C19H17NO4 — CID 2416587

IUPAC4-(4-nitrophenyl)-3-(4-propylphenyl)-2H-furan-5-one
SMILESCCCc1ccc(C2=C(c3ccc([N+](=O)[O-])cc3)C(=O)OC2)cc1
InChIInChI=1S/C19H17NO4/c1-2-3-13-4-6-14(7-5-13)17-12-24-19(21)18(17)15-8-10-16(11-9-15)20(22)23/h4-11H,2-3,12H2,1H3
InChIKeyQZEFWAKOZMPJIC-UHFFFAOYSA-N
MW323.35 g/mol
LogP4.01
Rot. Bonds5

About 4-(4-nitrophenyl)-3-(4-propylphenyl)-2H-furan-5-one

4-(4-nitrophenyl)-3-(4-propylphenyl)-2H-furan-5-one (PubChem CID 2416587) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 4-(4-nitrophenyl)-3-(4-propylphenyl)-2H-furan-5-one.

Molecular Properties

Compound Name4-(4-nitrophenyl)-3-(4-propylphenyl)-2H-furan-5-one
PubChem CID2416587
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name4-(4-nitrophenyl)-3-(4-propylphenyl)-2H-furan-5-one
SMILESCCCc1ccc(C2=C(c3ccc([N+](=O)[O-])cc3)C(=O)OC2)cc1
InChIInChI=1S/C19H17NO4/c1-2-3-13-4-6-14(7-5-13)17-12-24-19(21)18(17)15-8-10-16(11-9-15)20(22)23/h4-11H,2-3,12H2,1H3
InChIKeyQZEFWAKOZMPJIC-UHFFFAOYSA-N
XLogP4.01
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-(4-ethylphenyl)-4-(4-nitrophenyl)-2H-furan-5-one
CID 2416592
ethane;1-nitro-4-propylbenzene
CID 123575523
1-nitro-4-propylbenzene;propan-1-amine
CID 144859121
1-methyl-4-[2-(4-nitrophenyl)ethyl]benzene
CID 70154715
3-(4-fluorophenyl)-4-(2-nitrophenyl)-2H-furan-5-one
CID 2346702
3-(4-chlorophenyl)-4-(4-nitrophenyl)furan-2,5-dione
CID 86081138
3-phenyl-4-propyl-2H-furan-5-one
CID 118283591
N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-4-propylbenzenesulfonamide
CID 22776098
5-nitro-2-(4-propylphenyl)isoindole-1,3-dione
CID 67045729
1-(2-ethylsulfonylethyl)-4-nitrobenzene
CID 147385511
azane;1-ethyl-4-nitrobenzene
CID 19043225
1,3-bis[2-(4-nitrophenyl)ethyl]imidazolidin-2-one
CID 171776955

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrophenyl)-3-(4-propylphenyl)-2H-furan-5-one?
The IUPAC name of 4-(4-nitrophenyl)-3-(4-propylphenyl)-2H-furan-5-one (CID 2416587) is 4-(4-nitrophenyl)-3-(4-propylphenyl)-2H-furan-5-one.
What is the SMILES notation for 4-(4-nitrophenyl)-3-(4-propylphenyl)-2H-furan-5-one?
The canonical SMILES for 4-(4-nitrophenyl)-3-(4-propylphenyl)-2H-furan-5-one is CCCc1ccc(C2=C(c3ccc([N+](=O)[O-])cc3)C(=O)OC2)cc1.
What is the InChIKey of 4-(4-nitrophenyl)-3-(4-propylphenyl)-2H-furan-5-one?
The InChIKey is QZEFWAKOZMPJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-2-3-13-4-6-14(7-5-13)17-12-24-19(21)18(17)15-8-10-16(11-9-15)20(22)23/h4-11H,2-3,12H2,1H3.
What are the key properties of 4-(4-nitrophenyl)-3-(4-propylphenyl)-2H-furan-5-one?
4-(4-nitrophenyl)-3-(4-propylphenyl)-2H-furan-5-one has a molecular weight of 323.35 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrophenyl)-3-(4-propylphenyl)-2H-furan-5-one is sourced from PubChem (CID 2416587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).