2-methoxy-6-nitro-7-propan-2-yldibenzofuran

C16H15NO4 — CID 130464581

IUPAC2-methoxy-6-nitro-7-propan-2-yldibenzofuran
SMILESCOc1ccc2oc3c([N+](=O)[O-])c(C(C)C)ccc3c2c1
InChIInChI=1S/C16H15NO4/c1-9(2)11-5-6-12-13-8-10(20-3)4-7-14(13)21-16(12)15(11)17(18)19/h4-9H,1-3H3
InChIKeyAWIJHUKKVQDJCG-UHFFFAOYSA-N
MW285.30 g/mol
LogP4.63
Rot. Bonds3

About 2-methoxy-6-nitro-7-propan-2-yldibenzofuran

2-methoxy-6-nitro-7-propan-2-yldibenzofuran (PubChem CID 130464581) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-methoxy-6-nitro-7-propan-2-yldibenzofuran.

Molecular Properties

Compound Name2-methoxy-6-nitro-7-propan-2-yldibenzofuran
PubChem CID130464581
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-methoxy-6-nitro-7-propan-2-yldibenzofuran
SMILESCOc1ccc2oc3c([N+](=O)[O-])c(C(C)C)ccc3c2c1
InChIInChI=1S/C16H15NO4/c1-9(2)11-5-6-12-13-8-10(20-3)4-7-14(13)21-16(12)15(11)17(18)19/h4-9H,1-3H3
InChIKeyAWIJHUKKVQDJCG-UHFFFAOYSA-N
XLogP4.63
TPSA65.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 54.63
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-nitro-7-propan-2-yldibenzofuran?
The IUPAC name of 2-methoxy-6-nitro-7-propan-2-yldibenzofuran (CID 130464581) is 2-methoxy-6-nitro-7-propan-2-yldibenzofuran.
What is the SMILES notation for 2-methoxy-6-nitro-7-propan-2-yldibenzofuran?
The canonical SMILES for 2-methoxy-6-nitro-7-propan-2-yldibenzofuran is COc1ccc2oc3c([N+](=O)[O-])c(C(C)C)ccc3c2c1.
What is the InChIKey of 2-methoxy-6-nitro-7-propan-2-yldibenzofuran?
The InChIKey is AWIJHUKKVQDJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-9(2)11-5-6-12-13-8-10(20-3)4-7-14(13)21-16(12)15(11)17(18)19/h4-9H,1-3H3.
What are the key properties of 2-methoxy-6-nitro-7-propan-2-yldibenzofuran?
2-methoxy-6-nitro-7-propan-2-yldibenzofuran has a molecular weight of 285.30 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-nitro-7-propan-2-yldibenzofuran is sourced from PubChem (CID 130464581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).