4-ethoxy-2-methyl-1-nitrobenzene

C9H11NO3 — CID 11564566

IUPAC4-ethoxy-2-methyl-1-nitrobenzene
SMILESCCOc1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C9H11NO3/c1-3-13-8-4-5-9(10(11)12)7(2)6-8/h4-6H,3H2,1-2H3
InChIKeyBXMRWUIRVNVUBM-UHFFFAOYSA-N
MW181.19 g/mol
LogP2.30
Rot. Bonds3

About 4-ethoxy-2-methyl-1-nitrobenzene

4-ethoxy-2-methyl-1-nitrobenzene (PubChem CID 11564566) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-ethoxy-2-methyl-1-nitrobenzene.

Molecular Properties

Compound Name4-ethoxy-2-methyl-1-nitrobenzene
PubChem CID11564566
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name4-ethoxy-2-methyl-1-nitrobenzene
SMILESCCOc1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C9H11NO3/c1-3-13-8-4-5-9(10(11)12)7(2)6-8/h4-6H,3H2,1-2H3
InChIKeyBXMRWUIRVNVUBM-UHFFFAOYSA-N
XLogP2.30
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 52.30
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

Fenitrothion
CID 31200
Fenitrooxon
CID 16738
4-Nitroanisole
CID 7485
4-Nitrophenetol
CID 7495
2-Methyl-4-methoxyaniline
CID 7610
1-Nitro-4-phenoxybenzene
CID 12110
3-Methyl-4-nitroanisole
CID 79330
p-Nitrophenyl o-tolyl ether
CID 17123
Phosphorothioic acid, O-methyl O-(3-methyl-4-nitrophenyl) ester
CID 165212
Benzenamine, 4-(3-methylphenoxy)-
CID 151352
3-Methyl-2-nitroanisole
CID 79291
1,3-Bis(4-nitrophenoxy)propane
CID 256293

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-methyl-1-nitrobenzene?
The IUPAC name of 4-ethoxy-2-methyl-1-nitrobenzene (CID 11564566) is 4-ethoxy-2-methyl-1-nitrobenzene.
What is the SMILES notation for 4-ethoxy-2-methyl-1-nitrobenzene?
The canonical SMILES for 4-ethoxy-2-methyl-1-nitrobenzene is CCOc1ccc([N+](=O)[O-])c(C)c1.
What is the InChIKey of 4-ethoxy-2-methyl-1-nitrobenzene?
The InChIKey is BXMRWUIRVNVUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-3-13-8-4-5-9(10(11)12)7(2)6-8/h4-6H,3H2,1-2H3.
What are the key properties of 4-ethoxy-2-methyl-1-nitrobenzene?
4-ethoxy-2-methyl-1-nitrobenzene has a molecular weight of 181.19 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-methyl-1-nitrobenzene is sourced from PubChem (CID 11564566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).