2-(4-ethyl-2-methoxyphenoxy)-4-methyl-1-nitrobenzene

C16H17NO4 — CID 59191286

IUPAC2-(4-ethyl-2-methoxyphenoxy)-4-methyl-1-nitrobenzene
SMILESCCc1ccc(Oc2cc(C)ccc2[N+](=O)[O-])c(OC)c1
InChIInChI=1S/C16H17NO4/c1-4-12-6-8-14(16(10-12)20-3)21-15-9-11(2)5-7-13(15)17(18)19/h5-10H,4H2,1-3H3
InChIKeyCYALQSYGBLRJOL-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.27
Rot. Bonds5

About 2-(4-ethyl-2-methoxyphenoxy)-4-methyl-1-nitrobenzene

2-(4-ethyl-2-methoxyphenoxy)-4-methyl-1-nitrobenzene (PubChem CID 59191286) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(4-ethyl-2-methoxyphenoxy)-4-methyl-1-nitrobenzene.

Molecular Properties

Compound Name2-(4-ethyl-2-methoxyphenoxy)-4-methyl-1-nitrobenzene
PubChem CID59191286
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name2-(4-ethyl-2-methoxyphenoxy)-4-methyl-1-nitrobenzene
SMILESCCc1ccc(Oc2cc(C)ccc2[N+](=O)[O-])c(OC)c1
InChIInChI=1S/C16H17NO4/c1-4-12-6-8-14(16(10-12)20-3)21-15-9-11(2)5-7-13(15)17(18)19/h5-10H,4H2,1-3H3
InChIKeyCYALQSYGBLRJOL-UHFFFAOYSA-N
XLogP4.27
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.27
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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Related Compounds

1-(4-ethyl-2-methoxyphenoxy)-2-fluoro-4-methylbenzene
CID 143582804
2-(4-ethyl-2-methoxyphenoxy)-5-methylbenzonitrile
CID 107928298
N-methyl-1-[4-methyl-3-(5-methyl-2-nitrophenoxy)phenyl]methanamine
CID 105407132
2-(4-ethyl-2-nitrophenoxy)-5-methylbenzonitrile
CID 107928213
[3-fluoro-4-(5-methyl-2-nitrophenoxy)phenyl]methanamine
CID 61031147
5-bromo-2-(4-ethyl-2-methoxyphenoxy)-3-nitropyridine
CID 107667629
1-[3-chloro-4-(5-methyl-2-nitrophenoxy)phenyl]-N-methylmethanamine
CID 81151382
5-methyl-2-(5-methyl-2-nitrophenoxy)benzonitrile
CID 107928162
2-bromo-6-methyl-3-(5-methyl-2-nitrophenoxy)pyridine
CID 133476936
4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene
CID 19897914
5-methyl-2-(5-methyl-2-nitrophenoxy)benzoic acid
CID 62516355
1-[(4-bromo-3-nitrophenyl)methoxy]-2-methoxy-4-methylbenzene
CID 115557967

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-methoxyphenoxy)-4-methyl-1-nitrobenzene?
The IUPAC name of 2-(4-ethyl-2-methoxyphenoxy)-4-methyl-1-nitrobenzene (CID 59191286) is 2-(4-ethyl-2-methoxyphenoxy)-4-methyl-1-nitrobenzene.
What is the SMILES notation for 2-(4-ethyl-2-methoxyphenoxy)-4-methyl-1-nitrobenzene?
The canonical SMILES for 2-(4-ethyl-2-methoxyphenoxy)-4-methyl-1-nitrobenzene is CCc1ccc(Oc2cc(C)ccc2[N+](=O)[O-])c(OC)c1.
What is the InChIKey of 2-(4-ethyl-2-methoxyphenoxy)-4-methyl-1-nitrobenzene?
The InChIKey is CYALQSYGBLRJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-4-12-6-8-14(16(10-12)20-3)21-15-9-11(2)5-7-13(15)17(18)19/h5-10H,4H2,1-3H3.
What are the key properties of 2-(4-ethyl-2-methoxyphenoxy)-4-methyl-1-nitrobenzene?
2-(4-ethyl-2-methoxyphenoxy)-4-methyl-1-nitrobenzene has a molecular weight of 287.32 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-methoxyphenoxy)-4-methyl-1-nitrobenzene is sourced from PubChem (CID 59191286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).