4-(2-hydroxyethoxyamino)-3-nitrophenol

C8H10N2O5 — CID 141096518

IUPAC4-(2-hydroxyethoxyamino)-3-nitrophenol
SMILESO=[N+]([O-])c1cc(O)ccc1NOCCO
InChIInChI=1S/C8H10N2O5/c11-3-4-15-9-7-2-1-6(12)5-8(7)10(13)14/h1-2,5,9,11-12H,3-4H2
InChIKeyIHSANAHOWXXILB-UHFFFAOYSA-N
MW214.18 g/mol
LogP0.64
Rot. Bonds5

About 4-(2-hydroxyethoxyamino)-3-nitrophenol

4-(2-hydroxyethoxyamino)-3-nitrophenol (PubChem CID 141096518) has the molecular formula C8H10N2O5 and a molecular weight of 214.18 g/mol. Its IUPAC name is 4-(2-hydroxyethoxyamino)-3-nitrophenol.

Molecular Properties

Compound Name4-(2-hydroxyethoxyamino)-3-nitrophenol
PubChem CID141096518
Molecular FormulaC8H10N2O5
Molecular Weight214.18 g/mol
Exact Mass214.06
IUPAC Name4-(2-hydroxyethoxyamino)-3-nitrophenol
SMILESO=[N+]([O-])c1cc(O)ccc1NOCCO
InChIInChI=1S/C8H10N2O5/c11-3-4-15-9-7-2-1-6(12)5-8(7)10(13)14/h1-2,5,9,11-12H,3-4H2
InChIKeyIHSANAHOWXXILB-UHFFFAOYSA-N
XLogP0.64
TPSA104.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', '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

4-(2-hydroxyethoxymethyl)-3-nitrophenol
CID 67867571
4-(methylamino)-3-nitrophenol
CID 22832045
4-[(3-hydroxy-2,2-dimethylpropyl)amino]-3-nitrophenol
CID 81411844
2-(2-aminoethoxy)-N-(4-hydroxy-2-nitrophenyl)acetamide
CID 79473716
N-(4-hydroxy-2-nitrophenyl)-2-propoxyacetamide
CID 114018733
N-(4-hydroxy-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604610
4-[(4-fluorophenyl)methylamino]-3-nitrophenol
CID 43750808
N-(4-hydroxy-2-nitrophenyl)-2-methylpropanamide
CID 64592033
4-hydroxy-2-nitrophenolate
CID 36690956
4-[2-(2-hydroxyethoxy)ethylamino]-3-nitrobenzonitrile
CID 19828933
(2S,3S)-2-amino-N-(4-hydroxy-2-nitrophenyl)-3-methylpentanamide
CID 61155628
5-bromo-N-(4-hydroxy-2-nitrophenyl)pentanamide
CID 107908520

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethoxyamino)-3-nitrophenol?
The IUPAC name of 4-(2-hydroxyethoxyamino)-3-nitrophenol (CID 141096518) is 4-(2-hydroxyethoxyamino)-3-nitrophenol.
What is the SMILES notation for 4-(2-hydroxyethoxyamino)-3-nitrophenol?
The canonical SMILES for 4-(2-hydroxyethoxyamino)-3-nitrophenol is O=[N+]([O-])c1cc(O)ccc1NOCCO.
What is the InChIKey of 4-(2-hydroxyethoxyamino)-3-nitrophenol?
The InChIKey is IHSANAHOWXXILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5/c11-3-4-15-9-7-2-1-6(12)5-8(7)10(13)14/h1-2,5,9,11-12H,3-4H2.
What are the key properties of 4-(2-hydroxyethoxyamino)-3-nitrophenol?
4-(2-hydroxyethoxyamino)-3-nitrophenol has a molecular weight of 214.18 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethoxyamino)-3-nitrophenol is sourced from PubChem (CID 141096518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).