4-(2-hydroxyethylamino)-3-nitrophenol

C8H10N2O4 — CID 5488102

IUPAC4-(2-hydroxyethylamino)-3-nitrophenol
SMILESO=[N+]([O-])c1cc(O)ccc1NCCO
InChIInChI=1S/C8H10N2O4/c11-4-3-9-7-2-1-6(12)5-8(7)10(13)14/h1-2,5,9,11-12H,3-4H2
InChIKeyUXKLYBMQAHYULT-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.70
Rot. Bonds4

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

4-(2-hydroxyethylamino)-3-nitrophenol (PubChem CID 5488102) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 4-(2-hydroxyethylamino)-3-nitrophenol.

Molecular Properties

Compound Name4-(2-hydroxyethylamino)-3-nitrophenol
PubChem CID5488102
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name4-(2-hydroxyethylamino)-3-nitrophenol
SMILESO=[N+]([O-])c1cc(O)ccc1NCCO
InChIInChI=1S/C8H10N2O4/c11-4-3-9-7-2-1-6(12)5-8(7)10(13)14/h1-2,5,9,11-12H,3-4H2
InChIKeyUXKLYBMQAHYULT-UHFFFAOYSA-N
XLogP0.70
TPSA95.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylamino)-3-nitrophenol?
The IUPAC name of 4-(2-hydroxyethylamino)-3-nitrophenol (CID 5488102) is 4-(2-hydroxyethylamino)-3-nitrophenol.
What is the SMILES notation for 4-(2-hydroxyethylamino)-3-nitrophenol?
The canonical SMILES for 4-(2-hydroxyethylamino)-3-nitrophenol is O=[N+]([O-])c1cc(O)ccc1NCCO.
What is the InChIKey of 4-(2-hydroxyethylamino)-3-nitrophenol?
The InChIKey is UXKLYBMQAHYULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c11-4-3-9-7-2-1-6(12)5-8(7)10(13)14/h1-2,5,9,11-12H,3-4H2.
What are the key properties of 4-(2-hydroxyethylamino)-3-nitrophenol?
4-(2-hydroxyethylamino)-3-nitrophenol has a molecular weight of 198.18 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylamino)-3-nitrophenol is sourced from PubChem (CID 5488102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).