1-methoxy-4-(2-nitrophenyl)dibenzofuran

C19H13NO4 — CID 170677127

IUPAC1-methoxy-4-(2-nitrophenyl)dibenzofuran
SMILESCOc1ccc(-c2ccccc2[N+](=O)[O-])c2oc3ccccc3c12
InChIInChI=1S/C19H13NO4/c1-23-17-11-10-13(12-6-2-4-8-15(12)20(21)22)19-18(17)14-7-3-5-9-16(14)24-19/h2-11H,1H3
InChIKeySJRZDOVENRWDAC-UHFFFAOYSA-N
MW319.32 g/mol
LogP5.17
Rot. Bonds3

About 1-methoxy-4-(2-nitrophenyl)dibenzofuran

1-methoxy-4-(2-nitrophenyl)dibenzofuran (PubChem CID 170677127) has the molecular formula C19H13NO4 and a molecular weight of 319.32 g/mol. Its IUPAC name is 1-methoxy-4-(2-nitrophenyl)dibenzofuran.

Molecular Properties

Compound Name1-methoxy-4-(2-nitrophenyl)dibenzofuran
PubChem CID170677127
Molecular FormulaC19H13NO4
Molecular Weight319.32 g/mol
Exact Mass319.08
IUPAC Name1-methoxy-4-(2-nitrophenyl)dibenzofuran
SMILESCOc1ccc(-c2ccccc2[N+](=O)[O-])c2oc3ccccc3c12
InChIInChI=1S/C19H13NO4/c1-23-17-11-10-13(12-6-2-4-8-15(12)20(21)22)19-18(17)14-7-3-5-9-16(14)24-19/h2-11H,1H3
InChIKeySJRZDOVENRWDAC-UHFFFAOYSA-N
XLogP5.17
TPSA65.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.32
LogP ≤ 55.17
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-(2-methoxyphenyl)-2-nitrobenzene
CID 818687
4-fluoro-1-methoxy-2-(2-nitrophenyl)benzene
CID 22147723
4-methoxy-3-(2-nitrophenyl)benzoic acid
CID 82039203
1-ethyl-4-methoxydibenzofuran
CID 91030787
1-methyl-4-(2-nitrophenyl)naphthalene
CID 66585246
1,3-dimethoxy-4-methyldibenzofuran
CID 86106843
4-hydroxy-1-methoxyxanthen-9-one
CID 162982875
3-(4-methoxydibenzofuran-1-yl)-1H-pyridazin-6-one
CID 11716262
1-methoxy-4-phenylnaphtho[2,3-b][1]benzofuran
CID 167077293
[2-(2-nitrophenyl)-1-benzofuran-3-yl]methanol
CID 11149875
9-chloro-4-methoxy-1-nitroacridine
CID 18505069
1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene
CID 10868487

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(2-nitrophenyl)dibenzofuran?
The IUPAC name of 1-methoxy-4-(2-nitrophenyl)dibenzofuran (CID 170677127) is 1-methoxy-4-(2-nitrophenyl)dibenzofuran.
What is the SMILES notation for 1-methoxy-4-(2-nitrophenyl)dibenzofuran?
The canonical SMILES for 1-methoxy-4-(2-nitrophenyl)dibenzofuran is COc1ccc(-c2ccccc2[N+](=O)[O-])c2oc3ccccc3c12.
What is the InChIKey of 1-methoxy-4-(2-nitrophenyl)dibenzofuran?
The InChIKey is SJRZDOVENRWDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO4/c1-23-17-11-10-13(12-6-2-4-8-15(12)20(21)22)19-18(17)14-7-3-5-9-16(14)24-19/h2-11H,1H3.
What are the key properties of 1-methoxy-4-(2-nitrophenyl)dibenzofuran?
1-methoxy-4-(2-nitrophenyl)dibenzofuran has a molecular weight of 319.32 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(2-nitrophenyl)dibenzofuran is sourced from PubChem (CID 170677127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).