1-ethoxy-2-methoxy-5-methyl-4-nitrobenzene

C10H13NO4 — CID 57346293

IUPAC1-ethoxy-2-methoxy-5-methyl-4-nitrobenzene
SMILESCCOc1cc(C)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C10H13NO4/c1-4-15-10-5-7(2)8(11(12)13)6-9(10)14-3/h5-6H,4H2,1-3H3
InChIKeyUKGMQDQPJYBPPV-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.31
Rot. Bonds4

About 1-ethoxy-2-methoxy-5-methyl-4-nitrobenzene

1-ethoxy-2-methoxy-5-methyl-4-nitrobenzene (PubChem CID 57346293) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-ethoxy-2-methoxy-5-methyl-4-nitrobenzene.

Molecular Properties

Compound Name1-ethoxy-2-methoxy-5-methyl-4-nitrobenzene
PubChem CID57346293
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name1-ethoxy-2-methoxy-5-methyl-4-nitrobenzene
SMILESCCOc1cc(C)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C10H13NO4/c1-4-15-10-5-7(2)8(11(12)13)6-9(10)14-3/h5-6H,4H2,1-3H3
InChIKeyUKGMQDQPJYBPPV-UHFFFAOYSA-N
XLogP2.31
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.31
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-(2-azidoethoxy)-2-methoxy-4-methyl-5-nitrobenzene
CID 175369971
(4-ethoxy-5-methoxy-2-nitrophenyl)methanol
CID 43311689
2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethanamine
CID 112720413
(2,6-dimethylphenyl) 5-ethoxy-4-methoxy-2-nitrobenzoate
CID 9044040
ethane;2-methoxy-4-methyl-5-nitroaniline
CID 145393912
3-ethoxy-4-methoxy-N-(4-methyl-3-nitrophenyl)benzamide
CID 26575664
2-[(4-ethoxy-5-methoxy-2-nitrobenzoyl)-methylamino]acetic acid
CID 119172192
N-butyl-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 36711005
(4,5-diethoxy-2-nitrophenyl)hydrazine
CID 60920771
(4,5-dimethoxy-2-methylphenyl)methyl 4-ethoxy-3-nitrobenzoate
CID 9389518
2-(3,5-dimethylphenoxy)ethyl 5-ethoxy-4-methoxy-2-nitrobenzoate
CID 8666255
N-(3-acetamido-4-methylphenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 55746807

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-methoxy-5-methyl-4-nitrobenzene?
The IUPAC name of 1-ethoxy-2-methoxy-5-methyl-4-nitrobenzene (CID 57346293) is 1-ethoxy-2-methoxy-5-methyl-4-nitrobenzene.
What is the SMILES notation for 1-ethoxy-2-methoxy-5-methyl-4-nitrobenzene?
The canonical SMILES for 1-ethoxy-2-methoxy-5-methyl-4-nitrobenzene is CCOc1cc(C)c([N+](=O)[O-])cc1OC.
What is the InChIKey of 1-ethoxy-2-methoxy-5-methyl-4-nitrobenzene?
The InChIKey is UKGMQDQPJYBPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-4-15-10-5-7(2)8(11(12)13)6-9(10)14-3/h5-6H,4H2,1-3H3.
What are the key properties of 1-ethoxy-2-methoxy-5-methyl-4-nitrobenzene?
1-ethoxy-2-methoxy-5-methyl-4-nitrobenzene has a molecular weight of 211.22 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-methoxy-5-methyl-4-nitrobenzene is sourced from PubChem (CID 57346293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).