2-(3-hydroperoxy-4-propan-2-ylphenyl)propan-2-ol

C12H18O3 — CID 156700199

IUPAC2-(3-hydroperoxy-4-propan-2-ylphenyl)propan-2-ol
SMILESCC(C)c1ccc(C(C)(C)O)cc1OO
InChIInChI=1S/C12H18O3/c1-8(2)10-6-5-9(12(3,4)13)7-11(10)15-14/h5-8,13-14H,1-4H3
InChIKeyPPTNPNXKUPNDCE-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.89
Rot. Bonds3

About 2-(3-hydroperoxy-4-propan-2-ylphenyl)propan-2-ol

2-(3-hydroperoxy-4-propan-2-ylphenyl)propan-2-ol (PubChem CID 156700199) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-(3-hydroperoxy-4-propan-2-ylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3-hydroperoxy-4-propan-2-ylphenyl)propan-2-ol
PubChem CID156700199
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name2-(3-hydroperoxy-4-propan-2-ylphenyl)propan-2-ol
SMILESCC(C)c1ccc(C(C)(C)O)cc1OO
InChIInChI=1S/C12H18O3/c1-8(2)10-6-5-9(12(3,4)13)7-11(10)15-14/h5-8,13-14H,1-4H3
InChIKeyPPTNPNXKUPNDCE-UHFFFAOYSA-N
XLogP2.89
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 58551068
4-tert-butyl-2-(5-tert-butyl-2-propan-2-ylphenoxy)-1-propan-2-ylbenzene
CID 139682030
4-bromo-2-hydroperoxy-1-propan-2-ylbenzene
CID 19915594
2,3-ditert-butyl-1-hydroperoxy-4-propan-2-ylbenzene
CID 54569944
2-(4-propan-2-ylphenyl)propan-2-ol
CID 18935
ethane;2-(3-methoxy-4-methylphenyl)propan-2-ol
CID 145081687
2-[3,5-bis(2-hydroxypropan-2-yl)phenyl]propan-2-ol;2-[4-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 67743225
2-(4-methoxy-3-methylsulfanylphenyl)propan-2-ol
CID 117303270
2-[4-(difluoromethyl)-3-fluorophenyl]propan-2-ol
CID 84672129
2-(3-methoxy-4-methylsulfonylphenyl)propan-2-ol
CID 117362849
2,4-bis[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene
CID 140958911
4-[1,1-bis(4-hydroperoxy-3-methylphenyl)ethyl]-1-hydroperoxy-2-methylbenzene
CID 89043876

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroperoxy-4-propan-2-ylphenyl)propan-2-ol?
The IUPAC name of 2-(3-hydroperoxy-4-propan-2-ylphenyl)propan-2-ol (CID 156700199) is 2-(3-hydroperoxy-4-propan-2-ylphenyl)propan-2-ol.
What is the SMILES notation for 2-(3-hydroperoxy-4-propan-2-ylphenyl)propan-2-ol?
The canonical SMILES for 2-(3-hydroperoxy-4-propan-2-ylphenyl)propan-2-ol is CC(C)c1ccc(C(C)(C)O)cc1OO.
What is the InChIKey of 2-(3-hydroperoxy-4-propan-2-ylphenyl)propan-2-ol?
The InChIKey is PPTNPNXKUPNDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-8(2)10-6-5-9(12(3,4)13)7-11(10)15-14/h5-8,13-14H,1-4H3.
What are the key properties of 2-(3-hydroperoxy-4-propan-2-ylphenyl)propan-2-ol?
2-(3-hydroperoxy-4-propan-2-ylphenyl)propan-2-ol has a molecular weight of 210.27 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroperoxy-4-propan-2-ylphenyl)propan-2-ol is sourced from PubChem (CID 156700199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).