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

C10H13NO6 — CID 593462

IUPAC2-[2-(2-hydroxyethoxy)-4-nitrophenoxy]ethanol
SMILESO=[N+]([O-])c1ccc(OCCO)c(OCCO)c1
InChIInChI=1S/C10H13NO6/c12-3-5-16-9-2-1-8(11(14)15)7-10(9)17-6-4-13/h1-2,7,12-13H,3-6H2
InChIKeyDAESZPUCWAQPBS-UHFFFAOYSA-N
MW243.21 g/mol
LogP0.34
Rot. Bonds7

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

2-[2-(2-hydroxyethoxy)-4-nitrophenoxy]ethanol (PubChem CID 593462) has the molecular formula C10H13NO6 and a molecular weight of 243.21 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)-4-nitrophenoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)-4-nitrophenoxy]ethanol
PubChem CID593462
Molecular FormulaC10H13NO6
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC Name2-[2-(2-hydroxyethoxy)-4-nitrophenoxy]ethanol
SMILESO=[N+]([O-])c1ccc(OCCO)c(OCCO)c1
InChIInChI=1S/C10H13NO6/c12-3-5-16-9-2-1-8(11(14)15)7-10(9)17-6-4-13/h1-2,7,12-13H,3-6H2
InChIKeyDAESZPUCWAQPBS-UHFFFAOYSA-N
XLogP0.34
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-[2-(2-hydroxyethoxy)-4-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]ethanol
CID 101005092
2-[2-[ethyl(hydroxy)amino]-5-nitrophenoxy]ethanol
CID 91369281
1,2-bis(2-methoxyethoxy)-4-nitrobenzene;carbamic acid
CID 175523332
N-[2-[2-(2-acetamidoethoxy)-4-nitrophenoxy]ethyl]acetamide
CID 5311932
[2-(2-fluoroethoxy)-5-nitrophenyl]methanol
CID 80695743
2-[2-(4,6-dimethylpyrimidin-5-yl)-4-nitrophenoxy]ethanol
CID 163276963
2-methoxy-4-nitro-1-propoxybenzene
CID 131858212
5-(2-bromo-5-nitrophenoxy)pentan-1-ol
CID 102975174
2-(2-methoxy-5-nitrophenoxy)ethanamine
CID 18980081
1-(2-chloroethoxy)-2-methoxy-4-nitrobenzene
CID 22326897
3-(2-hydroxyethoxy)-2-methyl-5-nitrophenol
CID 19940167
2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethanol
CID 15326147

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)-4-nitrophenoxy]ethanol?
The IUPAC name of 2-[2-(2-hydroxyethoxy)-4-nitrophenoxy]ethanol (CID 593462) is 2-[2-(2-hydroxyethoxy)-4-nitrophenoxy]ethanol.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)-4-nitrophenoxy]ethanol?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)-4-nitrophenoxy]ethanol is O=[N+]([O-])c1ccc(OCCO)c(OCCO)c1.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)-4-nitrophenoxy]ethanol?
The InChIKey is DAESZPUCWAQPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO6/c12-3-5-16-9-2-1-8(11(14)15)7-10(9)17-6-4-13/h1-2,7,12-13H,3-6H2.
What are the key properties of 2-[2-(2-hydroxyethoxy)-4-nitrophenoxy]ethanol?
2-[2-(2-hydroxyethoxy)-4-nitrophenoxy]ethanol has a molecular weight of 243.21 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)-4-nitrophenoxy]ethanol is sourced from PubChem (CID 593462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).