1-propylperoxy-4-[2-(4-propylperoxyphenyl)propan-2-yl]benzene

C21H28O4 — CID 57321811

IUPAC1-propylperoxy-4-[2-(4-propylperoxyphenyl)propan-2-yl]benzene
SMILESCCCOOc1ccc(C(C)(C)c2ccc(OOCCC)cc2)cc1
InChIInChI=1S/C21H28O4/c1-5-15-22-24-19-11-7-17(8-12-19)21(3,4)18-9-13-20(14-10-18)25-23-16-6-2/h7-14H,5-6,15-16H2,1-4H3
InChIKeySPFMVQNHPAUNJC-UHFFFAOYSA-N
MW344.45 g/mol
LogP5.45
Rot. Bonds10

About 1-propylperoxy-4-[2-(4-propylperoxyphenyl)propan-2-yl]benzene

1-propylperoxy-4-[2-(4-propylperoxyphenyl)propan-2-yl]benzene (PubChem CID 57321811) has the molecular formula C21H28O4 and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-propylperoxy-4-[2-(4-propylperoxyphenyl)propan-2-yl]benzene.

Molecular Properties

Compound Name1-propylperoxy-4-[2-(4-propylperoxyphenyl)propan-2-yl]benzene
PubChem CID57321811
Molecular FormulaC21H28O4
Molecular Weight344.45 g/mol
Exact Mass344.20
IUPAC Name1-propylperoxy-4-[2-(4-propylperoxyphenyl)propan-2-yl]benzene
SMILESCCCOOc1ccc(C(C)(C)c2ccc(OOCCC)cc2)cc1
InChIInChI=1S/C21H28O4/c1-5-15-22-24-19-11-7-17(8-12-19)21(3,4)18-9-13-20(14-10-18)25-23-16-6-2/h7-14H,5-6,15-16H2,1-4H3
InChIKeySPFMVQNHPAUNJC-UHFFFAOYSA-N
XLogP5.45
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.45
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propylperoxybenzene
CID 87444466
1-(3-methylpentan-3-yl)-4-[4-[2-[4-[4-(3-methylpentan-3-yl)phenoxy]phenyl]propan-2-yl]phenoxy]benzene
CID 143591790
1-tert-butyl-4-[2-(4-tert-butylperoxyphenyl)propan-2-yl]benzene
CID 146237580
1,2,4,5-tetrabromo-3-ethylperoxy-6-[2-(4-ethylperoxyphenyl)propan-2-yl]benzene
CID 87652159
2-[4-[2-[4-(2-sulfanylethoxy)phenyl]propan-2-yl]phenoxy]ethanethiol
CID 154369507
1-(1,1-dibromopropoxy)-4-[2-[4-(1,1-dibromopropoxy)phenyl]propan-2-yl]benzene
CID 67068398
O-[4-[2-(4-aminooxyphenyl)propan-2-yl]phenyl]hydroxylamine
CID 67933990
[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy] hypoiodite
CID 118398991
2-[2-[4-[2-[4-(2-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol
CID 176854878
1-butan-2-yloxy-4-[2-(4-butoxyphenyl)propan-2-yl]benzene
CID 70880864
2-[2-[4-[2-[4-[2-(2-propoxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate
CID 151210127
2-[2-[4-[2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol
CID 15607829

Frequently Asked Questions

What is the IUPAC name of 1-propylperoxy-4-[2-(4-propylperoxyphenyl)propan-2-yl]benzene?
The IUPAC name of 1-propylperoxy-4-[2-(4-propylperoxyphenyl)propan-2-yl]benzene (CID 57321811) is 1-propylperoxy-4-[2-(4-propylperoxyphenyl)propan-2-yl]benzene.
What is the SMILES notation for 1-propylperoxy-4-[2-(4-propylperoxyphenyl)propan-2-yl]benzene?
The canonical SMILES for 1-propylperoxy-4-[2-(4-propylperoxyphenyl)propan-2-yl]benzene is CCCOOc1ccc(C(C)(C)c2ccc(OOCCC)cc2)cc1.
What is the InChIKey of 1-propylperoxy-4-[2-(4-propylperoxyphenyl)propan-2-yl]benzene?
The InChIKey is SPFMVQNHPAUNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O4/c1-5-15-22-24-19-11-7-17(8-12-19)21(3,4)18-9-13-20(14-10-18)25-23-16-6-2/h7-14H,5-6,15-16H2,1-4H3.
What are the key properties of 1-propylperoxy-4-[2-(4-propylperoxyphenyl)propan-2-yl]benzene?
1-propylperoxy-4-[2-(4-propylperoxyphenyl)propan-2-yl]benzene has a molecular weight of 344.45 g/mol, XLogP of 5.45, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylperoxy-4-[2-(4-propylperoxyphenyl)propan-2-yl]benzene is sourced from PubChem (CID 57321811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).