2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethanol

C14H21NO7 — CID 14691830

IUPAC2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethanol
SMILESO=[N+]([O-])c1ccc(OCCOCCOCCOCCO)cc1
InChIInChI=1S/C14H21NO7/c16-5-6-19-7-8-20-9-10-21-11-12-22-14-3-1-13(2-4-14)15(17)18/h1-4,16H,5-12H2
InChIKeyIGBPPJKBZOZENS-UHFFFAOYSA-N
MW315.32 g/mol
LogP1.02
Rot. Bonds13

About 2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 14691830) has the molecular formula C14H21NO7 and a molecular weight of 315.32 g/mol. Its IUPAC name is 2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethanol
PubChem CID14691830
Molecular FormulaC14H21NO7
Molecular Weight315.32 g/mol
Exact Mass315.13
IUPAC Name2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethanol
SMILESO=[N+]([O-])c1ccc(OCCOCCOCCOCCO)cc1
InChIInChI=1S/C14H21NO7/c16-5-6-19-7-8-20-9-10-21-11-12-22-14-3-1-13(2-4-14)15(17)18/h1-4,16H,5-12H2
InChIKeyIGBPPJKBZOZENS-UHFFFAOYSA-N
XLogP1.02
TPSA100.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

2-[2-[2-[2-[3-(4-nitrophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 22975886
1-nitro-4-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 13072768
2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 170563879
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
2-[2-[(4-nitrophenyl)methoxy]ethoxy]ethanol
CID 15221740
1-nitro-4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]benzene
CID 171646680
1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxymethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-nitrobenzene
CID 21192216
3-(4-nitrophenoxy)propanoate
CID 6993075
2-hydroxyethyl-[4-(4-nitrophenoxy)butyl]azanium
CID 2249712
diethyl 2-[2-[2-(4-nitrophenoxy)ethoxy]ethyl]propanedioate
CID 121451855
2-[2-[2-[[5-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethanol
CID 67384790
4-[2-(2-hydroxyethoxy)ethoxy]benzenesulfonic acid
CID 21471088

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethanol (CID 14691830) is 2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethanol is O=[N+]([O-])c1ccc(OCCOCCOCCOCCO)cc1.
What is the InChIKey of 2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is IGBPPJKBZOZENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO7/c16-5-6-19-7-8-20-9-10-21-11-12-22-14-3-1-13(2-4-14)15(17)18/h1-4,16H,5-12H2.
What are the key properties of 2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 315.32 g/mol, XLogP of 1.02, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 14691830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).