2-(2-hydroxyethylperoxycarbonyl)benzoic acid

C10H10O6 — CID 19384830

IUPAC2-(2-hydroxyethylperoxycarbonyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)OOCCO
InChIInChI=1S/C10H10O6/c11-5-6-15-16-10(14)8-4-2-1-3-7(8)9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChIKeyGVFCFDIMQDXGLZ-UHFFFAOYSA-N
MW226.18 g/mol
LogP0.47
Rot. Bonds5

About 2-(2-hydroxyethylperoxycarbonyl)benzoic acid

2-(2-hydroxyethylperoxycarbonyl)benzoic acid (PubChem CID 19384830) has the molecular formula C10H10O6 and a molecular weight of 226.18 g/mol. Its IUPAC name is 2-(2-hydroxyethylperoxycarbonyl)benzoic acid.

Molecular Properties

Compound Name2-(2-hydroxyethylperoxycarbonyl)benzoic acid
PubChem CID19384830
Molecular FormulaC10H10O6
Molecular Weight226.18 g/mol
Exact Mass226.05
IUPAC Name2-(2-hydroxyethylperoxycarbonyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)OOCCO
InChIInChI=1S/C10H10O6/c11-5-6-15-16-10(14)8-4-2-1-3-7(8)9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChIKeyGVFCFDIMQDXGLZ-UHFFFAOYSA-N
XLogP0.47
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(8-hydroxyoctyl) benzene-1,2-dicarboperoxoate
CID 175411464
methanediol;phthalic acid
CID 70525231
2-hydroxybenzoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 70560732
2-[1,1-dihydroxy-2-(2-hydroxyethoxy)ethoxy]carbonylbenzoic acid
CID 87217155
2-(4-carboxybenzoyl)oxycarbonylbenzoic acid;2-(2-hydroxyethoxy)ethanol
CID 174967065
2-[4-hydroxy-2-(2-hydroxyethoxy)butoxy]carbonylbenzoic acid
CID 141057144
hydron;phthalic acid
CID 67386665
CID 66717184
CID 66717184
phthalic acid;hydrobromide
CID 71236392
2-acetyl-3-oxobutanoic acid;2-(2-hydroxyethoxy)ethanol;phthalic acid
CID 174610219
magnesium;hydride;phthalic acid
CID 173000994
barium(2+);hydride;phthalic acid
CID 173000011

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylperoxycarbonyl)benzoic acid?
The IUPAC name of 2-(2-hydroxyethylperoxycarbonyl)benzoic acid (CID 19384830) is 2-(2-hydroxyethylperoxycarbonyl)benzoic acid.
What is the SMILES notation for 2-(2-hydroxyethylperoxycarbonyl)benzoic acid?
The canonical SMILES for 2-(2-hydroxyethylperoxycarbonyl)benzoic acid is O=C(O)c1ccccc1C(=O)OOCCO.
What is the InChIKey of 2-(2-hydroxyethylperoxycarbonyl)benzoic acid?
The InChIKey is GVFCFDIMQDXGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O6/c11-5-6-15-16-10(14)8-4-2-1-3-7(8)9(12)13/h1-4,11H,5-6H2,(H,12,13).
What are the key properties of 2-(2-hydroxyethylperoxycarbonyl)benzoic acid?
2-(2-hydroxyethylperoxycarbonyl)benzoic acid has a molecular weight of 226.18 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylperoxycarbonyl)benzoic acid is sourced from PubChem (CID 19384830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).