2-hydroxyethyl 3-(2-hydroxyethylperoxy)benzoate

C11H14O6 — CID 142637491

IUPAC2-hydroxyethyl 3-(2-hydroxyethylperoxy)benzoate
SMILESO=C(OCCO)c1cccc(OOCCO)c1
InChIInChI=1S/C11H14O6/c12-4-6-15-11(14)9-2-1-3-10(8-9)17-16-7-5-13/h1-3,8,12-13H,4-7H2
InChIKeySOKJWCLGIPXRRO-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.14
Rot. Bonds7

About 2-hydroxyethyl 3-(2-hydroxyethylperoxy)benzoate

2-hydroxyethyl 3-(2-hydroxyethylperoxy)benzoate (PubChem CID 142637491) has the molecular formula C11H14O6 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-hydroxyethyl 3-(2-hydroxyethylperoxy)benzoate.

Molecular Properties

Compound Name2-hydroxyethyl 3-(2-hydroxyethylperoxy)benzoate
PubChem CID142637491
Molecular FormulaC11H14O6
Molecular Weight242.23 g/mol
Exact Mass242.08
IUPAC Name2-hydroxyethyl 3-(2-hydroxyethylperoxy)benzoate
SMILESO=C(OCCO)c1cccc(OOCCO)c1
InChIInChI=1S/C11H14O6/c12-4-6-15-11(14)9-2-1-3-10(8-9)17-16-7-5-13/h1-3,8,12-13H,4-7H2
InChIKeySOKJWCLGIPXRRO-UHFFFAOYSA-N
XLogP0.14
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3-[3-(2-hydroxyethoxycarbonyl)phenoxy]propane-1-sulfonic acid
CID 88818077
2-(chloromethoxy)ethyl benzoate;2-hydroxyethyl benzoate
CID 161417180
3-[4-(3-carboxybenzoyl)oxybutoxycarbonyl]benzoic acid
CID 22226160
2-(3-methylbenzoyl)oxyethyl 3-methylbenzoate
CID 23185550
methane;pentyl 3-methoxybenzoate
CID 175424879
methyl 3-(2-fluoroethoxy)benzoate
CID 15058632
3-methoxybutyl 3-methoxybenzoate
CID 71869294
[2-(methylamino)-2-oxoethyl] 3-phenoxybenzoate
CID 2427068
(3-propoxycarbonylphenyl) 3-propan-2-yloxybenzoate
CID 17169726
(3-propoxycarbonylphenyl) 3-ethoxybenzoate
CID 17169687
3-[5-(3-carboxybenzoyl)oxypentoxycarbonyl]benzoic acid
CID 70459829
bis(3-chloropropyl) benzene-1,3-dicarboxylate
CID 101326811

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 3-(2-hydroxyethylperoxy)benzoate?
The IUPAC name of 2-hydroxyethyl 3-(2-hydroxyethylperoxy)benzoate (CID 142637491) is 2-hydroxyethyl 3-(2-hydroxyethylperoxy)benzoate.
What is the SMILES notation for 2-hydroxyethyl 3-(2-hydroxyethylperoxy)benzoate?
The canonical SMILES for 2-hydroxyethyl 3-(2-hydroxyethylperoxy)benzoate is O=C(OCCO)c1cccc(OOCCO)c1.
What is the InChIKey of 2-hydroxyethyl 3-(2-hydroxyethylperoxy)benzoate?
The InChIKey is SOKJWCLGIPXRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O6/c12-4-6-15-11(14)9-2-1-3-10(8-9)17-16-7-5-13/h1-3,8,12-13H,4-7H2.
What are the key properties of 2-hydroxyethyl 3-(2-hydroxyethylperoxy)benzoate?
2-hydroxyethyl 3-(2-hydroxyethylperoxy)benzoate has a molecular weight of 242.23 g/mol, XLogP of 0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 3-(2-hydroxyethylperoxy)benzoate is sourced from PubChem (CID 142637491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).