1-methoxy-4-nitrobenzene

C7H7NO3 — CID 7485

IUPAC1-methoxy-4-nitrobenzene
SMILESCOc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H7NO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
InChIKeyBNUHAJGCKIQFGE-UHFFFAOYSA-N
MW153.14 g/mol
LogP1.60
Rot. Bonds2

About 1-methoxy-4-nitrobenzene

1-methoxy-4-nitrobenzene (PubChem CID 7485) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 1-methoxy-4-nitrobenzene.

Molecular Properties

Compound Name1-methoxy-4-nitrobenzene
PubChem CID7485
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name1-methoxy-4-nitrobenzene
SMILESCOc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H7NO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
InChIKeyBNUHAJGCKIQFGE-UHFFFAOYSA-N
XLogP1.60
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 51.60
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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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-nitrobenzene?
The IUPAC name of 1-methoxy-4-nitrobenzene (CID 7485) is 1-methoxy-4-nitrobenzene.
What is the SMILES notation for 1-methoxy-4-nitrobenzene?
The canonical SMILES for 1-methoxy-4-nitrobenzene is COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-methoxy-4-nitrobenzene?
The InChIKey is BNUHAJGCKIQFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3.
What are the key properties of 1-methoxy-4-nitrobenzene?
1-methoxy-4-nitrobenzene has a molecular weight of 153.14 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-nitrobenzene is sourced from PubChem (CID 7485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).