2-ethoxy-1-(methoxymethoxy)-4-nitrobenzene

C10H13NO5 — CID 175152816

IUPAC2-ethoxy-1-(methoxymethoxy)-4-nitrobenzene
SMILESCCOc1cc([N+](=O)[O-])ccc1OCOC
InChIInChI=1S/C10H13NO5/c1-3-15-10-6-8(11(12)13)4-5-9(10)16-7-14-2/h4-6H,3,7H2,1-2H3
InChIKeyKGJHLSWNPDQIMP-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.98
Rot. Bonds6

About 2-ethoxy-1-(methoxymethoxy)-4-nitrobenzene

2-ethoxy-1-(methoxymethoxy)-4-nitrobenzene (PubChem CID 175152816) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-ethoxy-1-(methoxymethoxy)-4-nitrobenzene.

Molecular Properties

Compound Name2-ethoxy-1-(methoxymethoxy)-4-nitrobenzene
PubChem CID175152816
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Name2-ethoxy-1-(methoxymethoxy)-4-nitrobenzene
SMILESCCOc1cc([N+](=O)[O-])ccc1OCOC
InChIInChI=1S/C10H13NO5/c1-3-15-10-6-8(11(12)13)4-5-9(10)16-7-14-2/h4-6H,3,7H2,1-2H3
InChIKeyKGJHLSWNPDQIMP-UHFFFAOYSA-N
XLogP1.98
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(methoxymethoxy)-4-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]benzene
CID 87641751
1-chloro-2-ethoxy-4-nitrobenzene
CID 69438761
1-(2-ethoxy-5-nitrophenyl)ethanol
CID 116541848
(2-ethoxy-5-nitrophenyl)methanol
CID 28963811
(2-ethoxy-5-nitrophenyl)methanamine
CID 43472563
2-methoxy-4-nitro-1-propoxybenzene
CID 131858212
ethyl 2-[2-(2-ethoxy-2-oxoethoxy)-4-nitrophenoxy]acetate
CID 12678067
1,2-bis(2-methoxyethoxy)-4-nitrobenzene;carbamic acid
CID 175523332
2-(3,3-diethoxypropoxy)-1-methoxy-4-nitrobenzene
CID 63629477
CID 88555153
CID 88555153
2-[2-(2-hydroxyethoxy)-4-nitrophenoxy]ethanol
CID 593462
N-(3,4-diethoxyphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8823324

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(methoxymethoxy)-4-nitrobenzene?
The IUPAC name of 2-ethoxy-1-(methoxymethoxy)-4-nitrobenzene (CID 175152816) is 2-ethoxy-1-(methoxymethoxy)-4-nitrobenzene.
What is the SMILES notation for 2-ethoxy-1-(methoxymethoxy)-4-nitrobenzene?
The canonical SMILES for 2-ethoxy-1-(methoxymethoxy)-4-nitrobenzene is CCOc1cc([N+](=O)[O-])ccc1OCOC.
What is the InChIKey of 2-ethoxy-1-(methoxymethoxy)-4-nitrobenzene?
The InChIKey is KGJHLSWNPDQIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5/c1-3-15-10-6-8(11(12)13)4-5-9(10)16-7-14-2/h4-6H,3,7H2,1-2H3.
What are the key properties of 2-ethoxy-1-(methoxymethoxy)-4-nitrobenzene?
2-ethoxy-1-(methoxymethoxy)-4-nitrobenzene has a molecular weight of 227.22 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(methoxymethoxy)-4-nitrobenzene is sourced from PubChem (CID 175152816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).