1-tert-butyl-4-[2-(4-tert-butylperoxyphenyl)propan-2-yl]benzene

C23H32O2 — CID 146237580

IUPAC1-tert-butyl-4-[2-(4-tert-butylperoxyphenyl)propan-2-yl]benzene
SMILESCC(C)(C)OOc1ccc(C(C)(C)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H32O2/c1-21(2,3)17-9-11-18(12-10-17)23(7,8)19-13-15-20(16-14-19)24-25-22(4,5)6/h9-16H,1-8H3
InChIKeyNGNUSCHMVZHGJN-UHFFFAOYSA-N
MW340.51 g/mol
LogP6.42
Rot. Bonds4

About 1-tert-butyl-4-[2-(4-tert-butylperoxyphenyl)propan-2-yl]benzene

1-tert-butyl-4-[2-(4-tert-butylperoxyphenyl)propan-2-yl]benzene (PubChem CID 146237580) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-(4-tert-butylperoxyphenyl)propan-2-yl]benzene.

Molecular Properties

Compound Name1-tert-butyl-4-[2-(4-tert-butylperoxyphenyl)propan-2-yl]benzene
PubChem CID146237580
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name1-tert-butyl-4-[2-(4-tert-butylperoxyphenyl)propan-2-yl]benzene
SMILESCC(C)(C)OOc1ccc(C(C)(C)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H32O2/c1-21(2,3)17-9-11-18(12-10-17)23(7,8)19-13-15-20(16-14-19)24-25-22(4,5)6/h9-16H,1-8H3
InChIKeyNGNUSCHMVZHGJN-UHFFFAOYSA-N
XLogP6.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 56.42
H-Bond Donors ≤ 50
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-tert-butylperoxy-4-propan-2-ylbenzene
CID 20523322
O-[4-[2-(4-aminooxyphenyl)propan-2-yl]phenyl]hydroxylamine
CID 67933990
1-propylperoxy-4-[2-(4-propylperoxyphenyl)propan-2-yl]benzene
CID 57321811
[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy] hypoiodite
CID 118398991
4-[4-(4-aminophenoxy)phenoxy]aniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline
CID 69301255
1-tert-butyl-4-[2-(4-tert-butylphenyl)propan-2-yl]benzene;methane;2,2,5,5-tetramethylhexane
CID 163903793
ethane;[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl] ethaneperoxoate
CID 91574061
1-(3-methylpentan-3-yl)-4-[4-[2-[4-[4-(3-methylpentan-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene
CID 143591790
1-cyclopropyloxy-4-[2-(4-cyclopropyloxyphenyl)propan-2-yl]benzene
CID 175031556
(4-tert-butylphenoxy)-methylalumanylium
CID 21461042
N-(4-tert-butylphenoxy)methanamine
CID 170041711
1-tert-butyl-4-methylsulfanyloxybenzene
CID 14212448

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[2-(4-tert-butylperoxyphenyl)propan-2-yl]benzene?
The IUPAC name of 1-tert-butyl-4-[2-(4-tert-butylperoxyphenyl)propan-2-yl]benzene (CID 146237580) is 1-tert-butyl-4-[2-(4-tert-butylperoxyphenyl)propan-2-yl]benzene.
What is the SMILES notation for 1-tert-butyl-4-[2-(4-tert-butylperoxyphenyl)propan-2-yl]benzene?
The canonical SMILES for 1-tert-butyl-4-[2-(4-tert-butylperoxyphenyl)propan-2-yl]benzene is CC(C)(C)OOc1ccc(C(C)(C)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-tert-butyl-4-[2-(4-tert-butylperoxyphenyl)propan-2-yl]benzene?
The InChIKey is NGNUSCHMVZHGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2/c1-21(2,3)17-9-11-18(12-10-17)23(7,8)19-13-15-20(16-14-19)24-25-22(4,5)6/h9-16H,1-8H3.
What are the key properties of 1-tert-butyl-4-[2-(4-tert-butylperoxyphenyl)propan-2-yl]benzene?
1-tert-butyl-4-[2-(4-tert-butylperoxyphenyl)propan-2-yl]benzene has a molecular weight of 340.51 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[2-(4-tert-butylperoxyphenyl)propan-2-yl]benzene is sourced from PubChem (CID 146237580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).