2-(2-phenylpropan-2-ylperoxy)ethanol

C11H16O3 — CID 13111058

IUPAC2-(2-phenylpropan-2-ylperoxy)ethanol
SMILESCC(C)(OOCCO)c1ccccc1
InChIInChI=1S/C11H16O3/c1-11(2,14-13-9-8-12)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3
InChIKeyODSFCWSMQJZANV-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.86
Rot. Bonds5

About 2-(2-phenylpropan-2-ylperoxy)ethanol

2-(2-phenylpropan-2-ylperoxy)ethanol (PubChem CID 13111058) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(2-phenylpropan-2-ylperoxy)ethanol.

Molecular Properties

Compound Name2-(2-phenylpropan-2-ylperoxy)ethanol
PubChem CID13111058
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2-(2-phenylpropan-2-ylperoxy)ethanol
SMILESCC(C)(OOCCO)c1ccccc1
InChIInChI=1S/C11H16O3/c1-11(2,14-13-9-8-12)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3
InChIKeyODSFCWSMQJZANV-UHFFFAOYSA-N
XLogP1.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-ethylperoxypropan-2-ylbenzene
CID 14923166
2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174400461
azane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 159050538
2-[1-(2-hydroxyethoxy)-1-phenylethoxy]ethanol
CID 139725286
2-but-2-enylperoxypropan-2-ylbenzene
CID 57128435
1-(2-phenylpropan-2-ylperoxy)pentan-2-ol
CID 159732482
[diphenyl(2-phenylpropan-2-ylperoxy)methyl]benzene
CID 13066047
dichlorozinc;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174507938
carboxy hydrogen carbonate;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 175134122
butane;2-phenylpropan-2-yl benzenecarboperoxoate
CID 174772868
cyclohexane;ethene;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174748033
2-hydroperoxypropan-2-ylbenzene;hydrochloride
CID 174888264

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylpropan-2-ylperoxy)ethanol?
The IUPAC name of 2-(2-phenylpropan-2-ylperoxy)ethanol (CID 13111058) is 2-(2-phenylpropan-2-ylperoxy)ethanol.
What is the SMILES notation for 2-(2-phenylpropan-2-ylperoxy)ethanol?
The canonical SMILES for 2-(2-phenylpropan-2-ylperoxy)ethanol is CC(C)(OOCCO)c1ccccc1.
What is the InChIKey of 2-(2-phenylpropan-2-ylperoxy)ethanol?
The InChIKey is ODSFCWSMQJZANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-11(2,14-13-9-8-12)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3.
What are the key properties of 2-(2-phenylpropan-2-ylperoxy)ethanol?
2-(2-phenylpropan-2-ylperoxy)ethanol has a molecular weight of 196.25 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylpropan-2-ylperoxy)ethanol is sourced from PubChem (CID 13111058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).