2-ethyl-5-[(5-ethylfuran-2-yl)-(4-nitrophenyl)methyl]furan

C19H19NO4 — CID 71428618

IUPAC2-ethyl-5-[(5-ethylfuran-2-yl)-(4-nitrophenyl)methyl]furan
SMILESCCc1ccc(C(c2ccc([N+](=O)[O-])cc2)c2ccc(CC)o2)o1
InChIInChI=1S/C19H19NO4/c1-3-15-9-11-17(23-15)19(18-12-10-16(4-2)24-18)13-5-7-14(8-6-13)20(21)22/h5-12,19H,3-4H2,1-2H3
InChIKeyJGNDSBVSZMJFPR-UHFFFAOYSA-N
MW325.36 g/mol
LogP5.09
Rot. Bonds6

About 2-ethyl-5-[(5-ethylfuran-2-yl)-(4-nitrophenyl)methyl]furan

2-ethyl-5-[(5-ethylfuran-2-yl)-(4-nitrophenyl)methyl]furan (PubChem CID 71428618) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-ethyl-5-[(5-ethylfuran-2-yl)-(4-nitrophenyl)methyl]furan.

Molecular Properties

Compound Name2-ethyl-5-[(5-ethylfuran-2-yl)-(4-nitrophenyl)methyl]furan
PubChem CID71428618
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name2-ethyl-5-[(5-ethylfuran-2-yl)-(4-nitrophenyl)methyl]furan
SMILESCCc1ccc(C(c2ccc([N+](=O)[O-])cc2)c2ccc(CC)o2)o1
InChIInChI=1S/C19H19NO4/c1-3-15-9-11-17(23-15)19(18-12-10-16(4-2)24-18)13-5-7-14(8-6-13)20(21)22/h5-12,19H,3-4H2,1-2H3
InChIKeyJGNDSBVSZMJFPR-UHFFFAOYSA-N
XLogP5.09
TPSA69.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.36
LogP ≤ 55.09
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(5-ethylfuran-2-yl)-(4-nitrophenyl)methyl]furan?
The IUPAC name of 2-ethyl-5-[(5-ethylfuran-2-yl)-(4-nitrophenyl)methyl]furan (CID 71428618) is 2-ethyl-5-[(5-ethylfuran-2-yl)-(4-nitrophenyl)methyl]furan.
What is the SMILES notation for 2-ethyl-5-[(5-ethylfuran-2-yl)-(4-nitrophenyl)methyl]furan?
The canonical SMILES for 2-ethyl-5-[(5-ethylfuran-2-yl)-(4-nitrophenyl)methyl]furan is CCc1ccc(C(c2ccc([N+](=O)[O-])cc2)c2ccc(CC)o2)o1.
What is the InChIKey of 2-ethyl-5-[(5-ethylfuran-2-yl)-(4-nitrophenyl)methyl]furan?
The InChIKey is JGNDSBVSZMJFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-3-15-9-11-17(23-15)19(18-12-10-16(4-2)24-18)13-5-7-14(8-6-13)20(21)22/h5-12,19H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-5-[(5-ethylfuran-2-yl)-(4-nitrophenyl)methyl]furan?
2-ethyl-5-[(5-ethylfuran-2-yl)-(4-nitrophenyl)methyl]furan has a molecular weight of 325.36 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(5-ethylfuran-2-yl)-(4-nitrophenyl)methyl]furan is sourced from PubChem (CID 71428618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).