2-(dihydroxyamino)-4-(2-hydroxyethyl)phenolate

C8H10NO4- — CID 163149675

IUPAC2-(dihydroxyamino)-4-(2-hydroxyethyl)phenolate
SMILES[O-]c1ccc(CCO)cc1N(O)O
InChIInChI=1S/C8H11NO4/c10-4-3-6-1-2-8(11)7(5-6)9(12)13/h1-2,5,10-13H,3-4H2/p-1
InChIKeyYHVSTYFNDDMZKW-UHFFFAOYSA-M
MW184.17 g/mol
LogP-0.12
Rot. Bonds3

About 2-(dihydroxyamino)-4-(2-hydroxyethyl)phenolate

2-(dihydroxyamino)-4-(2-hydroxyethyl)phenolate (PubChem CID 163149675) has the molecular formula C8H10NO4- and a molecular weight of 184.17 g/mol. Its IUPAC name is 2-(dihydroxyamino)-4-(2-hydroxyethyl)phenolate.

Molecular Properties

Compound Name2-(dihydroxyamino)-4-(2-hydroxyethyl)phenolate
PubChem CID163149675
Molecular FormulaC8H10NO4-
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name2-(dihydroxyamino)-4-(2-hydroxyethyl)phenolate
SMILES[O-]c1ccc(CCO)cc1N(O)O
InChIInChI=1S/C8H11NO4/c10-4-3-6-1-2-8(11)7(5-6)9(12)13/h1-2,5,10-13H,3-4H2/p-1
InChIKeyYHVSTYFNDDMZKW-UHFFFAOYSA-M
XLogP-0.12
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

potassium 4-(2-hydroxyethyl)-2-sulfooxyphenolate
CID 132561079
2-(dihydroxyamino)-4-(hydroxymethyl)phenol
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CID 21091620
2-[4-(2-hydroxyethyl)-3-nitrophenyl]ethanol;methane
CID 146240647
CID 157363920
CID 157363920
2-[3-(2-aminoethyl)phenyl]ethanol
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2-(3-iodophenyl)ethanol
CID 15169850
2-[3-(2-bromoethyl)phenyl]ethanol
CID 58168543
2-(3-bromophenyl)ethanol
CID 2734090
2-[4-[4-(2-hydroxyethyl)-N-[4-(2-hydroxyethyl)phenyl]anilino]phenyl]ethanol
CID 20580135
2-(4-fluoro-3-nitrophenyl)ethanol
CID 11252405
2-(3-pyrimidin-2-ylphenyl)ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-(dihydroxyamino)-4-(2-hydroxyethyl)phenolate?
The IUPAC name of 2-(dihydroxyamino)-4-(2-hydroxyethyl)phenolate (CID 163149675) is 2-(dihydroxyamino)-4-(2-hydroxyethyl)phenolate.
What is the SMILES notation for 2-(dihydroxyamino)-4-(2-hydroxyethyl)phenolate?
The canonical SMILES for 2-(dihydroxyamino)-4-(2-hydroxyethyl)phenolate is [O-]c1ccc(CCO)cc1N(O)O.
What is the InChIKey of 2-(dihydroxyamino)-4-(2-hydroxyethyl)phenolate?
The InChIKey is YHVSTYFNDDMZKW-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11NO4/c10-4-3-6-1-2-8(11)7(5-6)9(12)13/h1-2,5,10-13H,3-4H2/p-1.
What are the key properties of 2-(dihydroxyamino)-4-(2-hydroxyethyl)phenolate?
2-(dihydroxyamino)-4-(2-hydroxyethyl)phenolate has a molecular weight of 184.17 g/mol, XLogP of -0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dihydroxyamino)-4-(2-hydroxyethyl)phenolate is sourced from PubChem (CID 163149675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).