1-methyl-3-(4-nitrophenoxy)benzene

C13H11NO3 — CID 16816

IUPAC1-methyl-3-(4-nitrophenoxy)benzene
SMILESCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C13H11NO3/c1-10-3-2-4-13(9-10)17-12-7-5-11(6-8-12)14(15)16/h2-9H,1H3
InChIKeyDLKBRTKDSDXWNA-UHFFFAOYSA-N
MW229.24 g/mol
LogP3.70
Rot. Bonds3

About 1-methyl-3-(4-nitrophenoxy)benzene

1-methyl-3-(4-nitrophenoxy)benzene (PubChem CID 16816) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-methyl-3-(4-nitrophenoxy)benzene.

Molecular Properties

Compound Name1-methyl-3-(4-nitrophenoxy)benzene
PubChem CID16816
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name1-methyl-3-(4-nitrophenoxy)benzene
SMILESCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C13H11NO3/c1-10-3-2-4-13(9-10)17-12-7-5-11(6-8-12)14(15)16/h2-9H,1H3
InChIKeyDLKBRTKDSDXWNA-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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Related Compounds

2-methyl-4-(3-methylphenoxy)-1-nitrobenzene
CID 21071560
N-[4-(3-methylphenoxy)phenyl]-2-(4-nitrophenoxy)acetamide
CID 7925013
1-fluoro-3-(3-methylphenoxy)-5-nitrobenzene
CID 80752789
1-chloro-3-(4-nitrophenoxy)benzene
CID 16815
1-ethyl-3-(4-nitrophenoxy)benzene
CID 22968899
1-(3-methylphenoxy)-3-nitro-5-(trifluoromethyl)benzene
CID 139243131
1-(4-nitrophenoxy)-3-(trichloromethyl)benzene
CID 12765872
3-(4-nitrophenoxy)benzoate
CID 3680439
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
[3-(4-nitrophenoxy)phenyl]methyl 4-[(3-methylphenoxy)methyl]benzoate
CID 126183545
1,4-dimethyl-2-(4-nitrophenoxy)benzene
CID 22164458
2-(chloromethyl)-4-(3-methylphenoxy)-1-nitrobenzene
CID 114057920

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-nitrophenoxy)benzene?
The IUPAC name of 1-methyl-3-(4-nitrophenoxy)benzene (CID 16816) is 1-methyl-3-(4-nitrophenoxy)benzene.
What is the SMILES notation for 1-methyl-3-(4-nitrophenoxy)benzene?
The canonical SMILES for 1-methyl-3-(4-nitrophenoxy)benzene is Cc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 1-methyl-3-(4-nitrophenoxy)benzene?
The InChIKey is DLKBRTKDSDXWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-10-3-2-4-13(9-10)17-12-7-5-11(6-8-12)14(15)16/h2-9H,1H3.
What are the key properties of 1-methyl-3-(4-nitrophenoxy)benzene?
1-methyl-3-(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-3-(4-nitrophenoxy)benzene is sourced from PubChem (CID 16816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).