5-methoxy-2-(4-nitrophenyl)-1-benzofuran

C15H11NO4 — CID 11680584

IUPAC5-methoxy-2-(4-nitrophenyl)-1-benzofuran
SMILESCOc1ccc2oc(-c3ccc([N+](=O)[O-])cc3)cc2c1
InChIInChI=1S/C15H11NO4/c1-19-13-6-7-14-11(8-13)9-15(20-14)10-2-4-12(5-3-10)16(17)18/h2-9H,1H3
InChIKeyIGKQAQGNMOKOOQ-UHFFFAOYSA-N
MW269.26 g/mol
LogP4.02
Rot. Bonds3

About 5-methoxy-2-(4-nitrophenyl)-1-benzofuran

5-methoxy-2-(4-nitrophenyl)-1-benzofuran (PubChem CID 11680584) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-methoxy-2-(4-nitrophenyl)-1-benzofuran.

Molecular Properties

Compound Name5-methoxy-2-(4-nitrophenyl)-1-benzofuran
PubChem CID11680584
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name5-methoxy-2-(4-nitrophenyl)-1-benzofuran
SMILESCOc1ccc2oc(-c3ccc([N+](=O)[O-])cc3)cc2c1
InChIInChI=1S/C15H11NO4/c1-19-13-6-7-14-11(8-13)9-15(20-14)10-2-4-12(5-3-10)16(17)18/h2-9H,1H3
InChIKeyIGKQAQGNMOKOOQ-UHFFFAOYSA-N
XLogP4.02
TPSA65.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 54.02
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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Related Compounds

2-(4-nitrophenyl)-1-benzofuran
CID 638459
2-(4-aminophenyl)-1-benzofuran-5-amine;5-nitro-2-(4-nitrophenyl)-1-benzofuran
CID 157129388
2-(4-methoxyphenyl)-5-phenyl-1-benzofuran
CID 66549379
7-methoxy-3-(4-nitrophenyl)chromen-2-imine
CID 53356330
N-[4-(5-methoxy-1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 44916112
2-(4-ethylsulfanylphenyl)-5-nitro-1-benzofuran
CID 14593090
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834
tert-butyl-[[2-(4-methoxyphenyl)-1-benzofuran-5-yl]oxy]-dimethylsilane
CID 68967722
1,3-dimethoxy-5-(4-nitrophenyl)benzene
CID 101434697
2-[4-(4-methoxyphenyl)phenyl]-1-benzofuran
CID 141017099
(4-methoxyphenyl)-(5-nitro-1-benzofuran-2-yl)methanone
CID 2728228
5-bromo-7-methoxy-2-(4-nitrophenyl)-1-benzofuran
CID 134151377

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(4-nitrophenyl)-1-benzofuran?
The IUPAC name of 5-methoxy-2-(4-nitrophenyl)-1-benzofuran (CID 11680584) is 5-methoxy-2-(4-nitrophenyl)-1-benzofuran.
What is the SMILES notation for 5-methoxy-2-(4-nitrophenyl)-1-benzofuran?
The canonical SMILES for 5-methoxy-2-(4-nitrophenyl)-1-benzofuran is COc1ccc2oc(-c3ccc([N+](=O)[O-])cc3)cc2c1.
What is the InChIKey of 5-methoxy-2-(4-nitrophenyl)-1-benzofuran?
The InChIKey is IGKQAQGNMOKOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c1-19-13-6-7-14-11(8-13)9-15(20-14)10-2-4-12(5-3-10)16(17)18/h2-9H,1H3.
What are the key properties of 5-methoxy-2-(4-nitrophenyl)-1-benzofuran?
5-methoxy-2-(4-nitrophenyl)-1-benzofuran has a molecular weight of 269.26 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(4-nitrophenyl)-1-benzofuran is sourced from PubChem (CID 11680584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).