2-methoxy-4-methyl-1-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]benzene

C18H21NO6 — CID 2282892

IUPAC2-methoxy-4-methyl-1-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]benzene
SMILESCOc1cc(C)ccc1OCCOCCOc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H21NO6/c1-14-3-8-17(18(13-14)22-2)25-12-10-23-9-11-24-16-6-4-15(5-7-16)19(20)21/h3-8,13H,9-12H2,1-2H3
InChIKeyMITWSTGWPXSSFF-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.39
Rot. Bonds10

About 2-methoxy-4-methyl-1-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]benzene

2-methoxy-4-methyl-1-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]benzene (PubChem CID 2282892) has the molecular formula C18H21NO6 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-methoxy-4-methyl-1-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]benzene.

Molecular Properties

Compound Name2-methoxy-4-methyl-1-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]benzene
PubChem CID2282892
Molecular FormulaC18H21NO6
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name2-methoxy-4-methyl-1-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]benzene
SMILESCOc1cc(C)ccc1OCCOCCOc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H21NO6/c1-14-3-8-17(18(13-14)22-2)25-12-10-23-9-11-24-16-6-4-15(5-7-16)19(20)21/h3-8,13H,9-12H2,1-2H3
InChIKeyMITWSTGWPXSSFF-UHFFFAOYSA-N
XLogP3.39
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

3-Methyl-4-nitroanisole
CID 79330
p-Nitrophenyl o-tolyl ether
CID 17123
1,2-Bis(4-nitrophenoxy)ethane
CID 270647
5-Hexyl-2-(2-nitrophenoxy)phenol
CID 44450122
5-Hexyl-2-(3-nitrophenoxy)phenol
CID 44450123
5-Hexyl-2-(4-nitrophenoxy)phenol
CID 44450124
5-Ethyl-4-fluoro-2-(4-nitrophenoxy)phenol
CID 126961631
p-(Benzyloxy)nitrobenzene
CID 70842
4,5-Dimethoxy-2-nitrotoluene
CID 139040
1,6-Bis(4-nitrophenoxy)hexane
CID 233200
5-Ethyl-2-(2-nitrophenoxy)phenol
CID 126961634
3-(4-Methoxyphenyl)-5-[(4-nitrophenoxy)methyl]-4,5-dihydroisoxazole
CID 2815774

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-1-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]benzene?
The IUPAC name of 2-methoxy-4-methyl-1-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]benzene (CID 2282892) is 2-methoxy-4-methyl-1-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]benzene.
What is the SMILES notation for 2-methoxy-4-methyl-1-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]benzene?
The canonical SMILES for 2-methoxy-4-methyl-1-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]benzene is COc1cc(C)ccc1OCCOCCOc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-methoxy-4-methyl-1-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]benzene?
The InChIKey is MITWSTGWPXSSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO6/c1-14-3-8-17(18(13-14)22-2)25-12-10-23-9-11-24-16-6-4-15(5-7-16)19(20)21/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 2-methoxy-4-methyl-1-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]benzene?
2-methoxy-4-methyl-1-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]benzene has a molecular weight of 347.37 g/mol, XLogP of 3.39, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-1-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]benzene is sourced from PubChem (CID 2282892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).