2-(4-nitrophenyl)-1-benzofuran

C14H9NO3 — CID 638459

IUPAC2-(4-nitrophenyl)-1-benzofuran
SMILESO=[N+]([O-])c1ccc(-c2cc3ccccc3o2)cc1
InChIInChI=1S/C14H9NO3/c16-15(17)12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)18-14/h1-9H
InChIKeyWEBFEILYGGICBA-UHFFFAOYSA-N
MW239.23 g/mol
LogP4.01
Rot. Bonds2

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

2-(4-nitrophenyl)-1-benzofuran (PubChem CID 638459) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-1-benzofuran.

Molecular Properties

Compound Name2-(4-nitrophenyl)-1-benzofuran
PubChem CID638459
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Name2-(4-nitrophenyl)-1-benzofuran
SMILESO=[N+]([O-])c1ccc(-c2cc3ccccc3o2)cc1
InChIInChI=1S/C14H9NO3/c16-15(17)12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)18-14/h1-9H
InChIKeyWEBFEILYGGICBA-UHFFFAOYSA-N
XLogP4.01
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 54.01
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

2-(4-nitrophenyl)chromen-4-one
CID 622510
2-(4-aminophenyl)-1-benzofuran-5-amine;5-nitro-2-(4-nitrophenyl)-1-benzofuran
CID 157129388
5-methoxy-2-(4-nitrophenyl)-1-benzofuran
CID 11680584
2-(1-benzofuran-2-yl)-5-nitro-1H-indole
CID 131869216
4-(1-benzofuran-2-yl)-1-[(2-nitrophenyl)methyl]pyridin-1-ium
CID 118730708
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834
2-[3-bromo-5-(4-nitrophenyl)furan-2-yl]-1,3-benzoxazole
CID 135035772
2-(4-ethylsulfanylphenyl)-5-nitro-1-benzofuran
CID 14593090
2-[4-(3-methylphenyl)phenyl]-1-benzofuran
CID 132966930
2-[3-(4-chlorophenyl)phenyl]-1-benzofuran
CID 170402405
4-(1-benzofuran-2-yl)-N,N-diphenylaniline
CID 139080403
2-[4-(4-methoxyphenyl)phenyl]-1-benzofuran
CID 141017099

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-1-benzofuran?
The IUPAC name of 2-(4-nitrophenyl)-1-benzofuran (CID 638459) is 2-(4-nitrophenyl)-1-benzofuran.
What is the SMILES notation for 2-(4-nitrophenyl)-1-benzofuran?
The canonical SMILES for 2-(4-nitrophenyl)-1-benzofuran is O=[N+]([O-])c1ccc(-c2cc3ccccc3o2)cc1.
What is the InChIKey of 2-(4-nitrophenyl)-1-benzofuran?
The InChIKey is WEBFEILYGGICBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3/c16-15(17)12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)18-14/h1-9H.
What are the key properties of 2-(4-nitrophenyl)-1-benzofuran?
2-(4-nitrophenyl)-1-benzofuran has a molecular weight of 239.23 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-1-benzofuran is sourced from PubChem (CID 638459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).