1-methyl-2-(4-nitrophenoxy)benzene

C13H11NO3 — CID 17123

IUPAC1-methyl-2-(4-nitrophenoxy)benzene
SMILESCc1ccccc1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H11NO3/c1-10-4-2-3-5-13(10)17-12-8-6-11(7-9-12)14(15)16/h2-9H,1H3
InChIKeyCUOZZRROMKDJFD-UHFFFAOYSA-N
MW229.24 g/mol
LogP3.70
Rot. Bonds3

About 1-methyl-2-(4-nitrophenoxy)benzene

1-methyl-2-(4-nitrophenoxy)benzene (PubChem CID 17123) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-methyl-2-(4-nitrophenoxy)benzene.

Molecular Properties

Compound Name1-methyl-2-(4-nitrophenoxy)benzene
PubChem CID17123
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name1-methyl-2-(4-nitrophenoxy)benzene
SMILESCc1ccccc1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H11NO3/c1-10-4-2-3-5-13(10)17-12-8-6-11(7-9-12)14(15)16/h2-9H,1H3
InChIKeyCUOZZRROMKDJFD-UHFFFAOYSA-N
XLogP3.70
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 53.70
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-methyl-2-(4-nitrophenoxy)benzene?
The IUPAC name of 1-methyl-2-(4-nitrophenoxy)benzene (CID 17123) is 1-methyl-2-(4-nitrophenoxy)benzene.
What is the SMILES notation for 1-methyl-2-(4-nitrophenoxy)benzene?
The canonical SMILES for 1-methyl-2-(4-nitrophenoxy)benzene is Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-methyl-2-(4-nitrophenoxy)benzene?
The InChIKey is CUOZZRROMKDJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-10-4-2-3-5-13(10)17-12-8-6-11(7-9-12)14(15)16/h2-9H,1H3.
What are the key properties of 1-methyl-2-(4-nitrophenoxy)benzene?
1-methyl-2-(4-nitrophenoxy)benzene has a molecular weight of 229.24 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-nitrophenoxy)benzene is sourced from PubChem (CID 17123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).