4-[3-(4-phenoxyphenyl)peroxyphenoxy]phenol

C24H18O5 — CID 142817698

IUPAC4-[3-(4-phenoxyphenyl)peroxyphenoxy]phenol
SMILESOc1ccc(Oc2cccc(OOc3ccc(Oc4ccccc4)cc3)c2)cc1
InChIInChI=1S/C24H18O5/c25-18-9-11-20(12-10-18)27-23-7-4-8-24(17-23)29-28-22-15-13-21(14-16-22)26-19-5-2-1-3-6-19/h1-17,25H
InChIKeyZJXKVCIGXSMEPE-UHFFFAOYSA-N
MW386.40 g/mol
LogP6.35
Rot. Bonds7

About 4-[3-(4-phenoxyphenyl)peroxyphenoxy]phenol

4-[3-(4-phenoxyphenyl)peroxyphenoxy]phenol (PubChem CID 142817698) has the molecular formula C24H18O5 and a molecular weight of 386.40 g/mol. Its IUPAC name is 4-[3-(4-phenoxyphenyl)peroxyphenoxy]phenol.

Molecular Properties

Compound Name4-[3-(4-phenoxyphenyl)peroxyphenoxy]phenol
PubChem CID142817698
Molecular FormulaC24H18O5
Molecular Weight386.40 g/mol
Exact Mass386.12
IUPAC Name4-[3-(4-phenoxyphenyl)peroxyphenoxy]phenol
SMILESOc1ccc(Oc2cccc(OOc3ccc(Oc4ccccc4)cc3)c2)cc1
InChIInChI=1S/C24H18O5/c25-18-9-11-20(12-10-18)27-23-7-4-8-24(17-23)29-28-22-15-13-21(14-16-22)26-19-5-2-1-3-6-19/h1-17,25H
InChIKeyZJXKVCIGXSMEPE-UHFFFAOYSA-N
XLogP6.35
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.40
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-phenylperoxyphenol
CID 87446766
4-[1-[4-[3-(1-phenylpropyl)phenoxy]phenyl]propyl]phenol
CID 143290824
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
4-[(E)-2-(3-phenoxyphenyl)ethenyl]phenol
CID 11587340
bis(4-(4-hydroxyphenoxy)phenol);hydrate
CID 67711282
5-[3-(3,5-dihydroxyphenoxy)-5-(4-hydroxyphenoxy)phenoxy]benzene-1,3-diol
CID 139830617
2-[2,2-dimethyl-1-(3-phenoxyphenyl)propyl]-4-(4-hydroxyphenoxy)phenol
CID 139386945
1-bromo-3-methoxybenzene;1-methoxy-3-phenoxybenzene;phenol
CID 157264679
4-phenoxyphenol;propanoic acid
CID 67658817
4-bis(4-phenoxyphenyl)phosphorylphenol
CID 22491596
bis(4-(3-aminophenoxy)phenol);propane
CID 160970916
4-[3-(3-hydroxyphenoxy)phenoxy]benzoic acid
CID 10426260

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-phenoxyphenyl)peroxyphenoxy]phenol?
The IUPAC name of 4-[3-(4-phenoxyphenyl)peroxyphenoxy]phenol (CID 142817698) is 4-[3-(4-phenoxyphenyl)peroxyphenoxy]phenol.
What is the SMILES notation for 4-[3-(4-phenoxyphenyl)peroxyphenoxy]phenol?
The canonical SMILES for 4-[3-(4-phenoxyphenyl)peroxyphenoxy]phenol is Oc1ccc(Oc2cccc(OOc3ccc(Oc4ccccc4)cc3)c2)cc1.
What is the InChIKey of 4-[3-(4-phenoxyphenyl)peroxyphenoxy]phenol?
The InChIKey is ZJXKVCIGXSMEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O5/c25-18-9-11-20(12-10-18)27-23-7-4-8-24(17-23)29-28-22-15-13-21(14-16-22)26-19-5-2-1-3-6-19/h1-17,25H.
What are the key properties of 4-[3-(4-phenoxyphenyl)peroxyphenoxy]phenol?
4-[3-(4-phenoxyphenyl)peroxyphenoxy]phenol has a molecular weight of 386.40 g/mol, XLogP of 6.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-phenoxyphenyl)peroxyphenoxy]phenol is sourced from PubChem (CID 142817698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).