2-[(3-nitrophenoxy)methyl]furan

C11H9NO4 — CID 66876884

IUPAC2-[(3-nitrophenoxy)methyl]furan
SMILESO=[N+]([O-])c1cccc(OCc2ccco2)c1
InChIInChI=1S/C11H9NO4/c13-12(14)9-3-1-4-10(7-9)16-8-11-5-2-6-15-11/h1-7H,8H2
InChIKeyHUMROIUIRMMOCT-UHFFFAOYSA-N
MW219.20 g/mol
LogP2.77
Rot. Bonds4

About 2-[(3-nitrophenoxy)methyl]furan

2-[(3-nitrophenoxy)methyl]furan (PubChem CID 66876884) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-[(3-nitrophenoxy)methyl]furan.

Molecular Properties

Compound Name2-[(3-nitrophenoxy)methyl]furan
PubChem CID66876884
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name2-[(3-nitrophenoxy)methyl]furan
SMILESO=[N+]([O-])c1cccc(OCc2ccco2)c1
InChIInChI=1S/C11H9NO4/c13-12(14)9-3-1-4-10(7-9)16-8-11-5-2-6-15-11/h1-7H,8H2
InChIKeyHUMROIUIRMMOCT-UHFFFAOYSA-N
XLogP2.77
TPSA65.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 52.77
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-[(3-nitrophenoxy)methyl]furan?
The IUPAC name of 2-[(3-nitrophenoxy)methyl]furan (CID 66876884) is 2-[(3-nitrophenoxy)methyl]furan.
What is the SMILES notation for 2-[(3-nitrophenoxy)methyl]furan?
The canonical SMILES for 2-[(3-nitrophenoxy)methyl]furan is O=[N+]([O-])c1cccc(OCc2ccco2)c1.
What is the InChIKey of 2-[(3-nitrophenoxy)methyl]furan?
The InChIKey is HUMROIUIRMMOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c13-12(14)9-3-1-4-10(7-9)16-8-11-5-2-6-15-11/h1-7H,8H2.
What are the key properties of 2-[(3-nitrophenoxy)methyl]furan?
2-[(3-nitrophenoxy)methyl]furan has a molecular weight of 219.20 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-nitrophenoxy)methyl]furan is sourced from PubChem (CID 66876884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).