hydrogen peroxide;1-phenylbutan-2-ylbenzene

C16H20O2 — CID 19777291

IUPAChydrogen peroxide;1-phenylbutan-2-ylbenzene
SMILESCCC(Cc1ccccc1)c1ccccc1.OO
InChIInChI=1S/C16H18.H2O2/c1-2-15(16-11-7-4-8-12-16)13-14-9-5-3-6-10-14;1-2/h3-12,15H,2,13H2,1H3;1-2H
InChIKeyKINLCXPYQDYVNG-UHFFFAOYSA-N
MW244.33 g/mol
LogP4.44
Rot. Bonds4

About hydrogen peroxide;1-phenylbutan-2-ylbenzene

hydrogen peroxide;1-phenylbutan-2-ylbenzene (PubChem CID 19777291) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is hydrogen peroxide;1-phenylbutan-2-ylbenzene.

Molecular Properties

Compound Namehydrogen peroxide;1-phenylbutan-2-ylbenzene
PubChem CID19777291
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Namehydrogen peroxide;1-phenylbutan-2-ylbenzene
SMILESCCC(Cc1ccccc1)c1ccccc1.OO
InChIInChI=1S/C16H18.H2O2/c1-2-15(16-11-7-4-8-12-16)13-14-9-5-3-6-10-14;1-2/h3-12,15H,2,13H2,1H3;1-2H
InChIKeyKINLCXPYQDYVNG-UHFFFAOYSA-N
XLogP4.44
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 54.44
H-Bond Donors ≤ 52
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

1-phenyl-4-(2-phenylbutyl)benzene
CID 57285163
1-ethenyl-4-(2-phenylbutyl)benzene
CID 175031243
azane;pentan-3-ylbenzene
CID 19774895
1,3-diphenylpropan-2-ylbenzene;2-phenylethylbenzene
CID 159042556
1-(2-chloroethoxy)-4-(2-phenylbutyl)benzene
CID 90423215
(2R)-3-phenyl-2-(2-phenylbutylamino)propanoic acid
CID 122037987
1-phenyltridecan-2-ylbenzene
CID 22919631
1-phenylundecan-2-ylbenzene
CID 22919994
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
pentan-3-ylbenzene;selenic acid
CID 175520254
5,6-diphenylhexan-2-one
CID 134938963
ethane;1-phenylpropan-2-ylbenzene
CID 142097323

Frequently Asked Questions

What is the IUPAC name of hydrogen peroxide;1-phenylbutan-2-ylbenzene?
The IUPAC name of hydrogen peroxide;1-phenylbutan-2-ylbenzene (CID 19777291) is hydrogen peroxide;1-phenylbutan-2-ylbenzene.
What is the SMILES notation for hydrogen peroxide;1-phenylbutan-2-ylbenzene?
The canonical SMILES for hydrogen peroxide;1-phenylbutan-2-ylbenzene is CCC(Cc1ccccc1)c1ccccc1.OO.
What is the InChIKey of hydrogen peroxide;1-phenylbutan-2-ylbenzene?
The InChIKey is KINLCXPYQDYVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18.H2O2/c1-2-15(16-11-7-4-8-12-16)13-14-9-5-3-6-10-14;1-2/h3-12,15H,2,13H2,1H3;1-2H.
What are the key properties of hydrogen peroxide;1-phenylbutan-2-ylbenzene?
hydrogen peroxide;1-phenylbutan-2-ylbenzene has a molecular weight of 244.33 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen peroxide;1-phenylbutan-2-ylbenzene is sourced from PubChem (CID 19777291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).