1-benzyl-4-[[4-(3-hydroperoxypropyl)phenoxy]methyl]benzene

C23H24O3 — CID 143625778

IUPAC1-benzyl-4-[[4-(3-hydroperoxypropyl)phenoxy]methyl]benzene
SMILESOOCCCc1ccc(OCc2ccc(Cc3ccccc3)cc2)cc1
InChIInChI=1S/C23H24O3/c24-26-16-4-7-19-12-14-23(15-13-19)25-18-22-10-8-21(9-11-22)17-20-5-2-1-3-6-20/h1-3,5-6,8-15,24H,4,7,16-18H2
InChIKeyCFHIGWSCNPEWLP-UHFFFAOYSA-N
MW348.44 g/mol
LogP5.28
Rot. Bonds9

About 1-benzyl-4-[[4-(3-hydroperoxypropyl)phenoxy]methyl]benzene

1-benzyl-4-[[4-(3-hydroperoxypropyl)phenoxy]methyl]benzene (PubChem CID 143625778) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is 1-benzyl-4-[[4-(3-hydroperoxypropyl)phenoxy]methyl]benzene.

Molecular Properties

Compound Name1-benzyl-4-[[4-(3-hydroperoxypropyl)phenoxy]methyl]benzene
PubChem CID143625778
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name1-benzyl-4-[[4-(3-hydroperoxypropyl)phenoxy]methyl]benzene
SMILESOOCCCc1ccc(OCc2ccc(Cc3ccccc3)cc2)cc1
InChIInChI=1S/C23H24O3/c24-26-16-4-7-19-12-14-23(15-13-19)25-18-22-10-8-21(9-11-22)17-20-5-2-1-3-6-20/h1-3,5-6,8-15,24H,4,7,16-18H2
InChIKeyCFHIGWSCNPEWLP-UHFFFAOYSA-N
XLogP5.28
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.44
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-(3-methoxypropyl)-4-phenylmethoxybenzene
CID 70548198
1-(3-fluoropropyl)-4-phenylmethoxybenzene
CID 83932928
lithium 3-(4-phenylmethoxyphenyl)propan-1-olate
CID 70590872
1-(8-methoxyoctyl)-4-phenylmethoxybenzene
CID 15052396
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540
2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine
CID 170868663
6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
2-[(4-phenylmethoxyphenyl)methyl]azulene
CID 141130846
1-(3-methylbut-3-enyl)-4-phenylmethoxybenzene
CID 146002662
5-(4-phenylmethoxyphenyl)pentyl formate
CID 87852449
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[[4-(3-hydroperoxypropyl)phenoxy]methyl]benzene?
The IUPAC name of 1-benzyl-4-[[4-(3-hydroperoxypropyl)phenoxy]methyl]benzene (CID 143625778) is 1-benzyl-4-[[4-(3-hydroperoxypropyl)phenoxy]methyl]benzene.
What is the SMILES notation for 1-benzyl-4-[[4-(3-hydroperoxypropyl)phenoxy]methyl]benzene?
The canonical SMILES for 1-benzyl-4-[[4-(3-hydroperoxypropyl)phenoxy]methyl]benzene is OOCCCc1ccc(OCc2ccc(Cc3ccccc3)cc2)cc1.
What is the InChIKey of 1-benzyl-4-[[4-(3-hydroperoxypropyl)phenoxy]methyl]benzene?
The InChIKey is CFHIGWSCNPEWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3/c24-26-16-4-7-19-12-14-23(15-13-19)25-18-22-10-8-21(9-11-22)17-20-5-2-1-3-6-20/h1-3,5-6,8-15,24H,4,7,16-18H2.
What are the key properties of 1-benzyl-4-[[4-(3-hydroperoxypropyl)phenoxy]methyl]benzene?
1-benzyl-4-[[4-(3-hydroperoxypropyl)phenoxy]methyl]benzene has a molecular weight of 348.44 g/mol, XLogP of 5.28, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[[4-(3-hydroperoxypropyl)phenoxy]methyl]benzene is sourced from PubChem (CID 143625778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).