1-(4-methylphenoxy)-2-nitrobenzene

C13H11NO3 — CID 3377310

IUPAC1-(4-methylphenoxy)-2-nitrobenzene
SMILESCc1ccc(Oc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C13H11NO3/c1-10-6-8-11(9-7-10)17-13-5-3-2-4-12(13)14(15)16/h2-9H,1H3
InChIKeyOSDQXPIRKIRPDH-UHFFFAOYSA-N
MW229.24 g/mol
LogP3.70
Rot. Bonds3

About 1-(4-methylphenoxy)-2-nitrobenzene

1-(4-methylphenoxy)-2-nitrobenzene (PubChem CID 3377310) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-(4-methylphenoxy)-2-nitrobenzene.

Molecular Properties

Compound Name1-(4-methylphenoxy)-2-nitrobenzene
PubChem CID3377310
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name1-(4-methylphenoxy)-2-nitrobenzene
SMILESCc1ccc(Oc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C13H11NO3/c1-10-6-8-11(9-7-10)17-13-5-3-2-4-12(13)14(15)16/h2-9H,1H3
InChIKeyOSDQXPIRKIRPDH-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

1-(4-fluorophenoxy)-4-methyl-2-nitrobenzene
CID 133413588
[4-(2-nitrophenoxy)phenyl]phosphonic acid
CID 18506154
1,2-dimethoxy-4-(2-nitrophenoxy)benzene
CID 11369382
ethane;1-methyl-2-(2-nitrophenoxy)benzene
CID 90780994
2-methyl-N-[4-(2-nitrophenoxy)phenyl]propanamide
CID 133348005
N-[[4-(2-nitrophenoxy)phenyl]methyl]propan-1-amine
CID 61030640
1-[4-(4-methylphenoxy)-3-nitrophenyl]ethanone
CID 9213139
1-methyl-2-nitro-3-(2-nitrophenoxy)benzene
CID 133391393
1-[4-(4-methylphenoxy)-3-nitrophenyl]ethanol
CID 43506318
1,1,4,4-tetramethyl-6-(2-nitrophenoxy)-2,3-dihydronaphthalene
CID 10616047
2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine
CID 24632876
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenoxy)-2-nitrobenzene?
The IUPAC name of 1-(4-methylphenoxy)-2-nitrobenzene (CID 3377310) is 1-(4-methylphenoxy)-2-nitrobenzene.
What is the SMILES notation for 1-(4-methylphenoxy)-2-nitrobenzene?
The canonical SMILES for 1-(4-methylphenoxy)-2-nitrobenzene is Cc1ccc(Oc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 1-(4-methylphenoxy)-2-nitrobenzene?
The InChIKey is OSDQXPIRKIRPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-10-6-8-11(9-7-10)17-13-5-3-2-4-12(13)14(15)16/h2-9H,1H3.
What are the key properties of 1-(4-methylphenoxy)-2-nitrobenzene?
1-(4-methylphenoxy)-2-nitrobenzene 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-(4-methylphenoxy)-2-nitrobenzene is sourced from PubChem (CID 3377310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).