3-(4-methylphenyl)-5-nitro-1-benzofuran

C15H11NO3 — CID 139185985

IUPAC3-(4-methylphenyl)-5-nitro-1-benzofuran
SMILESCc1ccc(-c2coc3ccc([N+](=O)[O-])cc23)cc1
InChIInChI=1S/C15H11NO3/c1-10-2-4-11(5-3-10)14-9-19-15-7-6-12(16(17)18)8-13(14)15/h2-9H,1H3
InChIKeyRIPWYJIGLAJAEZ-UHFFFAOYSA-N
MW253.26 g/mol
LogP4.32
Rot. Bonds2

About 3-(4-methylphenyl)-5-nitro-1-benzofuran

3-(4-methylphenyl)-5-nitro-1-benzofuran (PubChem CID 139185985) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-nitro-1-benzofuran.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-nitro-1-benzofuran
PubChem CID139185985
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name3-(4-methylphenyl)-5-nitro-1-benzofuran
SMILESCc1ccc(-c2coc3ccc([N+](=O)[O-])cc23)cc1
InChIInChI=1S/C15H11NO3/c1-10-2-4-11(5-3-10)14-9-19-15-7-6-12(16(17)18)8-13(14)15/h2-9H,1H3
InChIKeyRIPWYJIGLAJAEZ-UHFFFAOYSA-N
XLogP4.32
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 54.32
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

4-[4-(5-methyl-1-benzofuran-3-yl)phenyl]phenol
CID 10780577
1-methyl-4-nitrobenzene;hydrofluoride
CID 174946488
1-methyl-4-nitrobenzene;molecular nitrogen
CID 175124528
1-chloro-2-(4-methylphenyl)-4-nitrobenzene;formamide
CID 144972005
ethanol;1-methyl-4-nitrobenzene
CID 91088173
3-methyl-6-nitro-9H-carbazole
CID 58160212
3-[hydroxy-(3-nitrophenyl)methyl]-6-methylchromen-4-one
CID 11483741
5-methyl-3-(4-nitrophenyl)cyclopenta[c]pyran
CID 150805436
4-(2-methyl-5-nitrophenyl)benzenesulfonamide
CID 110453851
1-(4-chlorophenyl)-2-methyl-4-nitrobenzene
CID 57438279
N-(4-bromo-3-methylphenyl)-5-nitro-1-benzofuran-3-carboxamide
CID 23766932
1-[4-[5-(5-methylfuran-2-yl)-1-benzofuran-3-yl]phenyl]ethanone
CID 45482695

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-nitro-1-benzofuran?
The IUPAC name of 3-(4-methylphenyl)-5-nitro-1-benzofuran (CID 139185985) is 3-(4-methylphenyl)-5-nitro-1-benzofuran.
What is the SMILES notation for 3-(4-methylphenyl)-5-nitro-1-benzofuran?
The canonical SMILES for 3-(4-methylphenyl)-5-nitro-1-benzofuran is Cc1ccc(-c2coc3ccc([N+](=O)[O-])cc23)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-nitro-1-benzofuran?
The InChIKey is RIPWYJIGLAJAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-10-2-4-11(5-3-10)14-9-19-15-7-6-12(16(17)18)8-13(14)15/h2-9H,1H3.
What are the key properties of 3-(4-methylphenyl)-5-nitro-1-benzofuran?
3-(4-methylphenyl)-5-nitro-1-benzofuran has a molecular weight of 253.26 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-nitro-1-benzofuran is sourced from PubChem (CID 139185985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).