2-(2,4-dichlorophenyl)-5-(2-nitro-2-phenylethenyl)furan

C18H11Cl2NO3 — CID 2911165

IUPAC2-(2,4-dichlorophenyl)-5-(2-nitro-2-phenylethenyl)furan
SMILESO=[N+]([O-])C(=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1
InChIInChI=1S/C18H11Cl2NO3/c19-13-6-8-15(16(20)10-13)18-9-7-14(24-18)11-17(21(22)23)12-4-2-1-3-5-12/h1-11H
InChIKeyFZIGNAYJFXJJON-UHFFFAOYSA-N
MW360.20 g/mol
LogP6.03
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-5-(2-nitro-2-phenylethenyl)furan

2-(2,4-dichlorophenyl)-5-(2-nitro-2-phenylethenyl)furan (PubChem CID 2911165) has the molecular formula C18H11Cl2NO3 and a molecular weight of 360.20 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-(2-nitro-2-phenylethenyl)furan.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-(2-nitro-2-phenylethenyl)furan
PubChem CID2911165
Molecular FormulaC18H11Cl2NO3
Molecular Weight360.20 g/mol
Exact Mass359.01
IUPAC Name2-(2,4-dichlorophenyl)-5-(2-nitro-2-phenylethenyl)furan
SMILESO=[N+]([O-])C(=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1
InChIInChI=1S/C18H11Cl2NO3/c19-13-6-8-15(16(20)10-13)18-9-7-14(24-18)11-17(21(22)23)12-4-2-1-3-5-12/h1-11H
InChIKeyFZIGNAYJFXJJON-UHFFFAOYSA-N
XLogP6.03
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.20
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-2-sulfanylprop-2-enoic acid
CID 43839856
[4-[5-[(Z)-2-nitro-2-phenylethenyl]furan-2-yl]phenyl]-phenyldiazene
CID 50883691
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydroxylamine
CID 73164714
N-[(E)-3-(benzylamino)-1-[5-(2,4-dichlorophenyl)furan-2-yl]-3-oxoprop-1-en-2-yl]benzamide
CID 6241436
dimethyl 2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]propanedioate
CID 24780934
(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-(3-nitrobenzoyl)prop-2-enenitrile
CID 21381746
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 7368852
1-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-nitroguanidine
CID 136832205
(Z)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-2-(2-fluorophenyl)prop-2-enenitrile
CID 6071636
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 6033940
(E)-4-[5-(2,4-dichlorophenyl)furan-2-yl]but-3-en-2-one
CID 50884913
N-[(E)-1-[5-(2,4-dichlorophenyl)furan-2-yl]-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 5442663

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-5-(2-nitro-2-phenylethenyl)furan?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-(2-nitro-2-phenylethenyl)furan (CID 2911165) is 2-(2,4-dichlorophenyl)-5-(2-nitro-2-phenylethenyl)furan.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-(2-nitro-2-phenylethenyl)furan?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-(2-nitro-2-phenylethenyl)furan is O=[N+]([O-])C(=Cc1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-(2-nitro-2-phenylethenyl)furan?
The InChIKey is FZIGNAYJFXJJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2NO3/c19-13-6-8-15(16(20)10-13)18-9-7-14(24-18)11-17(21(22)23)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 2-(2,4-dichlorophenyl)-5-(2-nitro-2-phenylethenyl)furan?
2-(2,4-dichlorophenyl)-5-(2-nitro-2-phenylethenyl)furan has a molecular weight of 360.20 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-5-(2-nitro-2-phenylethenyl)furan is sourced from PubChem (CID 2911165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).