7-(3-nitrophenyl)-5-phenoxy-1-benzofuran

C20H13NO4 — CID 70063370

IUPAC7-(3-nitrophenyl)-5-phenoxy-1-benzofuran
SMILESO=[N+]([O-])c1cccc(-c2cc(Oc3ccccc3)cc3ccoc23)c1
InChIInChI=1S/C20H13NO4/c22-21(23)16-6-4-5-14(11-16)19-13-18(12-15-9-10-24-20(15)19)25-17-7-2-1-3-8-17/h1-13H
InChIKeyJZWKJJDWYRESKH-UHFFFAOYSA-N
MW331.33 g/mol
LogP5.80
Rot. Bonds4

About 7-(3-nitrophenyl)-5-phenoxy-1-benzofuran

7-(3-nitrophenyl)-5-phenoxy-1-benzofuran (PubChem CID 70063370) has the molecular formula C20H13NO4 and a molecular weight of 331.33 g/mol. Its IUPAC name is 7-(3-nitrophenyl)-5-phenoxy-1-benzofuran.

Molecular Properties

Compound Name7-(3-nitrophenyl)-5-phenoxy-1-benzofuran
PubChem CID70063370
Molecular FormulaC20H13NO4
Molecular Weight331.33 g/mol
Exact Mass331.08
IUPAC Name7-(3-nitrophenyl)-5-phenoxy-1-benzofuran
SMILESO=[N+]([O-])c1cccc(-c2cc(Oc3ccccc3)cc3ccoc23)c1
InChIInChI=1S/C20H13NO4/c22-21(23)16-6-4-5-14(11-16)19-13-18(12-15-9-10-24-20(15)19)25-17-7-2-1-3-8-17/h1-13H
InChIKeyJZWKJJDWYRESKH-UHFFFAOYSA-N
XLogP5.80
TPSA65.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.33
LogP ≤ 55.80
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

1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
5-(2-methylfuran-3-yl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 8895133
2,3-bis(3-nitrophenyl)quinoxaline
CID 71350595
formic acid;1-nitro-3-phenylbenzene
CID 158057338
2,6-bis(4-methoxyphenyl)-4-(3-nitrophenyl)pyrylium
CID 134912639
CID 66849213
CID 66849213
N-[[3-(3-nitrophenyl)furan-2-yl]methyl]propan-2-amine
CID 106886933
4-(3-nitrophenyl)-2-phenyl-1,3-thiazole
CID 847322
1-(3-nitrophenyl)-9H-fluorene
CID 150413743
3-(3-nitrophenyl)-6-[3-(3-nitrophenyl)-2-phenylquinoxalin-6-yl]-2-phenylquinoxaline
CID 59800540
1-phenoxy-4-(3-phenylphenoxy)benzene
CID 14832823

Frequently Asked Questions

What is the IUPAC name of 7-(3-nitrophenyl)-5-phenoxy-1-benzofuran?
The IUPAC name of 7-(3-nitrophenyl)-5-phenoxy-1-benzofuran (CID 70063370) is 7-(3-nitrophenyl)-5-phenoxy-1-benzofuran.
What is the SMILES notation for 7-(3-nitrophenyl)-5-phenoxy-1-benzofuran?
The canonical SMILES for 7-(3-nitrophenyl)-5-phenoxy-1-benzofuran is O=[N+]([O-])c1cccc(-c2cc(Oc3ccccc3)cc3ccoc23)c1.
What is the InChIKey of 7-(3-nitrophenyl)-5-phenoxy-1-benzofuran?
The InChIKey is JZWKJJDWYRESKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO4/c22-21(23)16-6-4-5-14(11-16)19-13-18(12-15-9-10-24-20(15)19)25-17-7-2-1-3-8-17/h1-13H.
What are the key properties of 7-(3-nitrophenyl)-5-phenoxy-1-benzofuran?
7-(3-nitrophenyl)-5-phenoxy-1-benzofuran has a molecular weight of 331.33 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-nitrophenyl)-5-phenoxy-1-benzofuran is sourced from PubChem (CID 70063370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).