2-hydroperoxypropan-2-ylbenzene;hydrochloride

C9H13ClO2 — CID 174888264

IUPAC2-hydroperoxypropan-2-ylbenzene;hydrochloride
SMILESCC(C)(OO)c1ccccc1.Cl
InChIInChI=1S/C9H12O2.ClH/c1-9(2,11-10)8-6-4-3-5-7-8;/h3-7,10H,1-2H3;1H
InChIKeyIGDGOTPJPZXAKJ-UHFFFAOYSA-N
MW188.65 g/mol
LogP2.83
Rot. Bonds2

About 2-hydroperoxypropan-2-ylbenzene;hydrochloride

2-hydroperoxypropan-2-ylbenzene;hydrochloride (PubChem CID 174888264) has the molecular formula C9H13ClO2 and a molecular weight of 188.65 g/mol. Its IUPAC name is 2-hydroperoxypropan-2-ylbenzene;hydrochloride.

Molecular Properties

Compound Name2-hydroperoxypropan-2-ylbenzene;hydrochloride
PubChem CID174888264
Molecular FormulaC9H13ClO2
Molecular Weight188.65 g/mol
Exact Mass188.06
IUPAC Name2-hydroperoxypropan-2-ylbenzene;hydrochloride
SMILESCC(C)(OO)c1ccccc1.Cl
InChIInChI=1S/C9H12O2.ClH/c1-9(2,11-10)8-6-4-3-5-7-8;/h3-7,10H,1-2H3;1H
InChIKeyIGDGOTPJPZXAKJ-UHFFFAOYSA-N
XLogP2.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.65
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174400461
azane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 159050538
3-(2-hydroperoxypropan-2-yl)phenol
CID 14576497
bis(2-phenylpropan-2-yloxy)silane
CID 173308139
1-ethyl-4-(2-hydroperoxypropan-2-yl)benzene
CID 22506294
2-hydroperoxybutan-2-ylbenzene
CID 15510207
tert-butyl-[2-[4-(2-hydroperoxypropan-2-yl)phenyl]ethoxy]-diphenylsilane
CID 88618126
(1-bromo-1-phenylethyl)benzene
CID 19019197
carboxy hydrogen carbonate;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 175134122
[hydroperoxy(dimethoxy)methyl]benzene
CID 58623589
[diphenyl(2-phenylpropan-2-ylperoxy)methyl]benzene
CID 13066047
dichlorozinc;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174507938

Frequently Asked Questions

What is the IUPAC name of 2-hydroperoxypropan-2-ylbenzene;hydrochloride?
The IUPAC name of 2-hydroperoxypropan-2-ylbenzene;hydrochloride (CID 174888264) is 2-hydroperoxypropan-2-ylbenzene;hydrochloride.
What is the SMILES notation for 2-hydroperoxypropan-2-ylbenzene;hydrochloride?
The canonical SMILES for 2-hydroperoxypropan-2-ylbenzene;hydrochloride is CC(C)(OO)c1ccccc1.Cl.
What is the InChIKey of 2-hydroperoxypropan-2-ylbenzene;hydrochloride?
The InChIKey is IGDGOTPJPZXAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2.ClH/c1-9(2,11-10)8-6-4-3-5-7-8;/h3-7,10H,1-2H3;1H.
What are the key properties of 2-hydroperoxypropan-2-ylbenzene;hydrochloride?
2-hydroperoxypropan-2-ylbenzene;hydrochloride has a molecular weight of 188.65 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroperoxypropan-2-ylbenzene;hydrochloride is sourced from PubChem (CID 174888264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).