3-methyl-6-nitrodibenzofuran

C13H9NO3 — CID 129136915

IUPAC3-methyl-6-nitrodibenzofuran
SMILESCc1ccc2c(c1)oc1c([N+](=O)[O-])cccc12
InChIInChI=1S/C13H9NO3/c1-8-5-6-9-10-3-2-4-11(14(15)16)13(10)17-12(9)7-8/h2-7H,1H3
InChIKeyUZLQZGWAPXFUBP-UHFFFAOYSA-N
MW227.22 g/mol
LogP3.80
Rot. Bonds1

About 3-methyl-6-nitrodibenzofuran

3-methyl-6-nitrodibenzofuran (PubChem CID 129136915) has the molecular formula C13H9NO3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 3-methyl-6-nitrodibenzofuran.

Molecular Properties

Compound Name3-methyl-6-nitrodibenzofuran
PubChem CID129136915
Molecular FormulaC13H9NO3
Molecular Weight227.22 g/mol
Exact Mass227.06
IUPAC Name3-methyl-6-nitrodibenzofuran
SMILESCc1ccc2c(c1)oc1c([N+](=O)[O-])cccc12
InChIInChI=1S/C13H9NO3/c1-8-5-6-9-10-3-2-4-11(14(15)16)13(10)17-12(9)7-8/h2-7H,1H3
InChIKeyUZLQZGWAPXFUBP-UHFFFAOYSA-N
XLogP3.80
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 53.80
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

1-bromo-6-nitrodibenzofuran
CID 142427337
9-methylphenanthro[1,2-b][1]benzofuran
CID 158951107
3-(chloromethyl)-2-methyl-7-nitro-1-benzofuran
CID 70199996
3-methyl-7-nitro-1-benzofuran
CID 10241335
7-methyl-3-(2-nitrophenyl)chromen-4-one
CID 11289009
4-amino-7-methyl-3-nitrochromen-2-one
CID 88988269
3,3-dimethyl-8-nitro-[1]benzofuro[3,2-f]chromene
CID 69398684
carbon dioxide;2-methyl-7-nitro-1-benzofuran
CID 159902776
6-methyl-2-[(2-nitrophenyl)methyl]-1,3-benzoxazole
CID 53418830
2-methyl-7-(6-methyldibenzofuran-3-yl)dibenzofuran
CID 139460855
(7-methyl-2-oxochromen-4-yl)methyl 2-(2-nitrophenyl)acetate
CID 3310308
1,4-dimethyl-2-nitrobenzene
CID 20849377

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-nitrodibenzofuran?
The IUPAC name of 3-methyl-6-nitrodibenzofuran (CID 129136915) is 3-methyl-6-nitrodibenzofuran.
What is the SMILES notation for 3-methyl-6-nitrodibenzofuran?
The canonical SMILES for 3-methyl-6-nitrodibenzofuran is Cc1ccc2c(c1)oc1c([N+](=O)[O-])cccc12.
What is the InChIKey of 3-methyl-6-nitrodibenzofuran?
The InChIKey is UZLQZGWAPXFUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3/c1-8-5-6-9-10-3-2-4-11(14(15)16)13(10)17-12(9)7-8/h2-7H,1H3.
What are the key properties of 3-methyl-6-nitrodibenzofuran?
3-methyl-6-nitrodibenzofuran has a molecular weight of 227.22 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-nitrodibenzofuran is sourced from PubChem (CID 129136915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).