1-hydroperoxy-3-phenyl-2-propan-2-ylbenzene

C15H16O2 — CID 139700110

IUPAC1-hydroperoxy-3-phenyl-2-propan-2-ylbenzene
SMILESCC(C)c1c(OO)cccc1-c1ccccc1
InChIInChI=1S/C15H16O2/c1-11(2)15-13(9-6-10-14(15)17-16)12-7-4-3-5-8-12/h3-11,16H,1-2H3
InChIKeySCTRJFRCJVFDJT-UHFFFAOYSA-N
MW228.29 g/mol
LogP4.33
Rot. Bonds3

About 1-hydroperoxy-3-phenyl-2-propan-2-ylbenzene

1-hydroperoxy-3-phenyl-2-propan-2-ylbenzene (PubChem CID 139700110) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-hydroperoxy-3-phenyl-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-hydroperoxy-3-phenyl-2-propan-2-ylbenzene
PubChem CID139700110
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name1-hydroperoxy-3-phenyl-2-propan-2-ylbenzene
SMILESCC(C)c1c(OO)cccc1-c1ccccc1
InChIInChI=1S/C15H16O2/c1-11(2)15-13(9-6-10-14(15)17-16)12-7-4-3-5-8-12/h3-11,16H,1-2H3
InChIKeySCTRJFRCJVFDJT-UHFFFAOYSA-N
XLogP4.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 54.33
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

(3-phenyl-2-propan-2-ylphenyl) acetate
CID 69300193
1-chloro-3-hydroperoxy-2-propan-2-ylbenzene
CID 167440370
1-(3-phenyl-2-propan-2-ylphenyl)ethanone
CID 139652419
1-tert-butyl-3-hydroperoxy-2-propan-2-ylbenzene
CID 141095074
1,3,5-triphenyl-2,4,6-tri(propan-2-yl)benzene
CID 175984465
[3-(3-acetyloxy-2-propan-2-ylphenyl)phenyl] acetate
CID 68948751
1-hydroperoxy-2,3-di(propan-2-yl)benzene;1-hydroperoxy-4-propan-2-ylbenzene
CID 87880961
5-methyl-1,3-diphenyl-2-propan-2-ylbenzene
CID 140664566
1-[4-[4-[2,3-di(propan-2-yl)phenyl]phenyl]phenyl]-2,3-di(propan-2-yl)benzene
CID 91401527
1,2-bis(1-bromoethyl)-3-phenylbenzene
CID 175283947
4-phenyl-2-propan-2-ylbenzene-1,3-diamine
CID 141068208
CID 87136222
CID 87136222

Frequently Asked Questions

What is the IUPAC name of 1-hydroperoxy-3-phenyl-2-propan-2-ylbenzene?
The IUPAC name of 1-hydroperoxy-3-phenyl-2-propan-2-ylbenzene (CID 139700110) is 1-hydroperoxy-3-phenyl-2-propan-2-ylbenzene.
What is the SMILES notation for 1-hydroperoxy-3-phenyl-2-propan-2-ylbenzene?
The canonical SMILES for 1-hydroperoxy-3-phenyl-2-propan-2-ylbenzene is CC(C)c1c(OO)cccc1-c1ccccc1.
What is the InChIKey of 1-hydroperoxy-3-phenyl-2-propan-2-ylbenzene?
The InChIKey is SCTRJFRCJVFDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-11(2)15-13(9-6-10-14(15)17-16)12-7-4-3-5-8-12/h3-11,16H,1-2H3.
What are the key properties of 1-hydroperoxy-3-phenyl-2-propan-2-ylbenzene?
1-hydroperoxy-3-phenyl-2-propan-2-ylbenzene has a molecular weight of 228.29 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroperoxy-3-phenyl-2-propan-2-ylbenzene is sourced from PubChem (CID 139700110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).