2-(ethoxymethyl)-1-methoxy-3-nitrobenzene

C10H13NO4 — CID 122651743

IUPAC2-(ethoxymethyl)-1-methoxy-3-nitrobenzene
SMILESCCOCc1c(OC)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H13NO4/c1-3-15-7-8-9(11(12)13)5-4-6-10(8)14-2/h4-6H,3,7H2,1-2H3
InChIKeyZMHTUKCEBMHAMO-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.14
Rot. Bonds5

About 2-(ethoxymethyl)-1-methoxy-3-nitrobenzene

2-(ethoxymethyl)-1-methoxy-3-nitrobenzene (PubChem CID 122651743) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1-methoxy-3-nitrobenzene.

Molecular Properties

Compound Name2-(ethoxymethyl)-1-methoxy-3-nitrobenzene
PubChem CID122651743
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-(ethoxymethyl)-1-methoxy-3-nitrobenzene
SMILESCCOCc1c(OC)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H13NO4/c1-3-15-7-8-9(11(12)13)5-4-6-10(8)14-2/h4-6H,3,7H2,1-2H3
InChIKeyZMHTUKCEBMHAMO-UHFFFAOYSA-N
XLogP2.14
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.14
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

CID 160738129
CID 160738129
2-(bromomethyl)-1-(ethoxymethyl)-3-nitrobenzene
CID 118918126
N-ethyl-2-methoxy-6-nitroaniline
CID 89287909
2-(2-methoxy-6-nitrophenyl)acetonitrile;2-(3-methoxy-2-nitrophenyl)acetonitrile
CID 53447012
1-(2-ethoxyethoxy)-2-nitrobenzene
CID 23347822
2-(2-ethoxy-6-nitrophenyl)acetic acid
CID 84689611
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-nitrobenzene
CID 15105139
1-(2-methoxyphenyl)-2-nitrobenzene
CID 818687
phenyl N-[(2-methoxy-6-nitrophenyl)methyl]-N-methylcarbamate
CID 137370231
N-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,6-dinitroaniline
CID 89114186
1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene
CID 10868487
1-[(2-methoxy-6-nitrophenyl)methyl]-1-[10-[1-[(2-methoxy-6-nitrophenyl)methyl]piperazin-1-ium-4-id-1-yl]decyl]piperazin-1-ium-4-ide
CID 10349182

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-1-methoxy-3-nitrobenzene?
The IUPAC name of 2-(ethoxymethyl)-1-methoxy-3-nitrobenzene (CID 122651743) is 2-(ethoxymethyl)-1-methoxy-3-nitrobenzene.
What is the SMILES notation for 2-(ethoxymethyl)-1-methoxy-3-nitrobenzene?
The canonical SMILES for 2-(ethoxymethyl)-1-methoxy-3-nitrobenzene is CCOCc1c(OC)cccc1[N+](=O)[O-].
What is the InChIKey of 2-(ethoxymethyl)-1-methoxy-3-nitrobenzene?
The InChIKey is ZMHTUKCEBMHAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-3-15-7-8-9(11(12)13)5-4-6-10(8)14-2/h4-6H,3,7H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-1-methoxy-3-nitrobenzene?
2-(ethoxymethyl)-1-methoxy-3-nitrobenzene has a molecular weight of 211.22 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-1-methoxy-3-nitrobenzene is sourced from PubChem (CID 122651743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).