1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene

C35H32O5 — CID 156694250

IUPAC1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
SMILESc1ccc(COOCc2ccc(OCc3ccc(OCc4ccc(OCc5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C35H32O5/c1-3-7-28(8-4-1)23-36-33-17-11-30(12-18-33)24-37-34-19-13-31(14-20-34)25-38-35-21-15-32(16-22-35)27-40-39-26-29-9-5-2-6-10-29/h1-22H,23-27H2
InChIKeyPJJCJANNWNUGDK-UHFFFAOYSA-N
MW532.64 g/mol
LogP8.07
Rot. Bonds14

About 1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene

1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene (PubChem CID 156694250) has the molecular formula C35H32O5 and a molecular weight of 532.64 g/mol. Its IUPAC name is 1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene.

Molecular Properties

Compound Name1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
PubChem CID156694250
Molecular FormulaC35H32O5
Molecular Weight532.64 g/mol
Exact Mass532.22
IUPAC Name1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
SMILESc1ccc(COOCc2ccc(OCc3ccc(OCc4ccc(OCc5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C35H32O5/c1-3-7-28(8-4-1)23-36-33-17-11-30(12-18-33)24-37-34-19-13-31(14-20-34)25-38-35-21-15-32(16-22-35)27-40-39-26-29-9-5-2-6-10-29/h1-22H,23-27H2
InChIKeyPJJCJANNWNUGDK-UHFFFAOYSA-N
XLogP8.07
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.64
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
(4-phenylmethoxyphenyl) hypobromite
CID 151898979
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
4-phenylmethoxyaniline
CID 159966727
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540
[4-(4-phenylmethoxyphenoxy)phenyl]methanamine
CID 139985270
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
1-phenylmethoxy-4-propoxybenzene
CID 10728874
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965
1,4-bis[(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 6480590
1-(3-fluoropropyl)-4-phenylmethoxybenzene
CID 83932928
2-[(4-phenylmethoxyphenyl)methyl]azulene
CID 141130846

Frequently Asked Questions

What is the IUPAC name of 1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene?
The IUPAC name of 1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene (CID 156694250) is 1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene.
What is the SMILES notation for 1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene?
The canonical SMILES for 1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene is c1ccc(COOCc2ccc(OCc3ccc(OCc4ccc(OCc5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene?
The InChIKey is PJJCJANNWNUGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32O5/c1-3-7-28(8-4-1)23-36-33-17-11-30(12-18-33)24-37-34-19-13-31(14-20-34)25-38-35-21-15-32(16-22-35)27-40-39-26-29-9-5-2-6-10-29/h1-22H,23-27H2.
What are the key properties of 1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene?
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene has a molecular weight of 532.64 g/mol, XLogP of 8.07, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene is sourced from PubChem (CID 156694250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).