1-benzofuran-2-yl-(3-nitrophenyl)methanone

C15H9NO4 — CID 776094

IUPAC1-benzofuran-2-yl-(3-nitrophenyl)methanone
SMILESO=C(c1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1
InChIInChI=1S/C15H9NO4/c17-15(11-5-3-6-12(8-11)16(18)19)14-9-10-4-1-2-7-13(10)20-14/h1-9H
InChIKeyHGMZGSVPMAAXOO-UHFFFAOYSA-N
MW267.24 g/mol
LogP3.57
Rot. Bonds3

About 1-benzofuran-2-yl-(3-nitrophenyl)methanone

1-benzofuran-2-yl-(3-nitrophenyl)methanone (PubChem CID 776094) has the molecular formula C15H9NO4 and a molecular weight of 267.24 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(3-nitrophenyl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-(3-nitrophenyl)methanone
PubChem CID776094
Molecular FormulaC15H9NO4
Molecular Weight267.24 g/mol
Exact Mass267.05
IUPAC Name1-benzofuran-2-yl-(3-nitrophenyl)methanone
SMILESO=C(c1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1
InChIInChI=1S/C15H9NO4/c17-15(11-5-3-6-12(8-11)16(18)19)14-9-10-4-1-2-7-13(10)20-14/h1-9H
InChIKeyHGMZGSVPMAAXOO-UHFFFAOYSA-N
XLogP3.57
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 53.57
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

3-Nitrodibenzofuran
CID 72897
5-(3-Nitrophenyl)furfural
CID 612417
5-(4-Nitrophenyl)-2-furaldehyde
CID 81567
2,5-Bis-(4-nitro-phenyl)-furan
CID 2818433
Bis(5-aminobenzo[b]furan-2-yl)methanone
CID 11098310
(2Z)-2-(4-nitrobenzylidene)-1-benzofuran-3(2H)-one
CID 642385
(2-Butyl-5-nitro-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone
CID 11473234
2,7-Dinitrodibenzofuran
CID 94963
1-(5-Nitro-1-benzofuran-2-YL)ethanone
CID 520023
(3-Amino-5-nitro-1-benzofuran-2-yl)-phenylmethanone
CID 2916743
(7-Methoxy-2-benzofuranyl)-(4-nitrophenyl)methanone
CID 895198
2-Nitrodibenzofuran
CID 88729

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(3-nitrophenyl)methanone?
The IUPAC name of 1-benzofuran-2-yl-(3-nitrophenyl)methanone (CID 776094) is 1-benzofuran-2-yl-(3-nitrophenyl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl-(3-nitrophenyl)methanone?
The canonical SMILES for 1-benzofuran-2-yl-(3-nitrophenyl)methanone is O=C(c1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-yl-(3-nitrophenyl)methanone?
The InChIKey is HGMZGSVPMAAXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO4/c17-15(11-5-3-6-12(8-11)16(18)19)14-9-10-4-1-2-7-13(10)20-14/h1-9H.
What are the key properties of 1-benzofuran-2-yl-(3-nitrophenyl)methanone?
1-benzofuran-2-yl-(3-nitrophenyl)methanone has a molecular weight of 267.24 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(3-nitrophenyl)methanone is sourced from PubChem (CID 776094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).