5-bromo-7-methoxy-2-(4-nitrophenyl)-1-benzofuran

C15H10BrNO4 — CID 134151377

IUPAC5-bromo-7-methoxy-2-(4-nitrophenyl)-1-benzofuran
SMILESCOc1cc(Br)cc2cc(-c3ccc([N+](=O)[O-])cc3)oc12
InChIInChI=1S/C15H10BrNO4/c1-20-14-8-11(16)6-10-7-13(21-15(10)14)9-2-4-12(5-3-9)17(18)19/h2-8H,1H3
InChIKeyWYBTUEBKJHGGHN-UHFFFAOYSA-N
MW348.15 g/mol
LogP4.78
Rot. Bonds3

About 5-bromo-7-methoxy-2-(4-nitrophenyl)-1-benzofuran

5-bromo-7-methoxy-2-(4-nitrophenyl)-1-benzofuran (PubChem CID 134151377) has the molecular formula C15H10BrNO4 and a molecular weight of 348.15 g/mol. Its IUPAC name is 5-bromo-7-methoxy-2-(4-nitrophenyl)-1-benzofuran.

Molecular Properties

Compound Name5-bromo-7-methoxy-2-(4-nitrophenyl)-1-benzofuran
PubChem CID134151377
Molecular FormulaC15H10BrNO4
Molecular Weight348.15 g/mol
Exact Mass346.98
IUPAC Name5-bromo-7-methoxy-2-(4-nitrophenyl)-1-benzofuran
SMILESCOc1cc(Br)cc2cc(-c3ccc([N+](=O)[O-])cc3)oc12
InChIInChI=1S/C15H10BrNO4/c1-20-14-8-11(16)6-10-7-13(21-15(10)14)9-2-4-12(5-3-9)17(18)19/h2-8H,1H3
InChIKeyWYBTUEBKJHGGHN-UHFFFAOYSA-N
XLogP4.78
TPSA65.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.15
LogP ≤ 54.78
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

5-bromo-7-methoxy-2-nitro-1-benzofuran
CID 71444459
5-methoxy-2-(4-nitrophenyl)-1-benzofuran
CID 11680584
methyl 3-methoxy-5-(4-nitrophenyl)furan-2-carboxylate
CID 53253836
5,7-dibromo-2-(4-methoxyphenyl)-1-benzofuran
CID 10309404
6-bromo-3-(4-fluorophenyl)-8-methoxychromen-2-one
CID 118723876
2-(4-nitrophenyl)-1-benzofuran
CID 638459
6-bromo-3-(6-bromo-8-methoxy-2-oxochromene-3-carbonyl)-8-methoxychromen-2-one
CID 12002444
6-bromo-2-methoxy-3-(4-nitrophenyl)quinoline
CID 171566035
8-methoxy-3-(8-methoxy-6-nitro-2-oxochromen-3-yl)sulfonyl-6-nitrochromen-2-one
CID 11699038
5,7-dibromo-2-(4-nitrophenyl)chromen-4-one
CID 162668451
1-bromo-4-nitrobenzene;ethane
CID 91498714
2-bromo-5-(2-methoxy-4-nitrophenyl)furan
CID 134092642

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-methoxy-2-(4-nitrophenyl)-1-benzofuran?
The IUPAC name of 5-bromo-7-methoxy-2-(4-nitrophenyl)-1-benzofuran (CID 134151377) is 5-bromo-7-methoxy-2-(4-nitrophenyl)-1-benzofuran.
What is the SMILES notation for 5-bromo-7-methoxy-2-(4-nitrophenyl)-1-benzofuran?
The canonical SMILES for 5-bromo-7-methoxy-2-(4-nitrophenyl)-1-benzofuran is COc1cc(Br)cc2cc(-c3ccc([N+](=O)[O-])cc3)oc12.
What is the InChIKey of 5-bromo-7-methoxy-2-(4-nitrophenyl)-1-benzofuran?
The InChIKey is WYBTUEBKJHGGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO4/c1-20-14-8-11(16)6-10-7-13(21-15(10)14)9-2-4-12(5-3-9)17(18)19/h2-8H,1H3.
What are the key properties of 5-bromo-7-methoxy-2-(4-nitrophenyl)-1-benzofuran?
5-bromo-7-methoxy-2-(4-nitrophenyl)-1-benzofuran has a molecular weight of 348.15 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-methoxy-2-(4-nitrophenyl)-1-benzofuran is sourced from PubChem (CID 134151377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).