1-ethoxy-2-[(3-phenoxyphenyl)methylperoxymethyl]benzene

C22H22O4 — CID 57058545

IUPAC1-ethoxy-2-[(3-phenoxyphenyl)methylperoxymethyl]benzene
SMILESCCOc1ccccc1COOCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C22H22O4/c1-2-23-22-14-7-6-10-19(22)17-25-24-16-18-9-8-13-21(15-18)26-20-11-4-3-5-12-20/h3-15H,2,16-17H2,1H3
InChIKeyUAVSPFBSSTZWQF-UHFFFAOYSA-N
MW350.41 g/mol
LogP5.53
Rot. Bonds9

About 1-ethoxy-2-[(3-phenoxyphenyl)methylperoxymethyl]benzene

1-ethoxy-2-[(3-phenoxyphenyl)methylperoxymethyl]benzene (PubChem CID 57058545) has the molecular formula C22H22O4 and a molecular weight of 350.41 g/mol. Its IUPAC name is 1-ethoxy-2-[(3-phenoxyphenyl)methylperoxymethyl]benzene.

Molecular Properties

Compound Name1-ethoxy-2-[(3-phenoxyphenyl)methylperoxymethyl]benzene
PubChem CID57058545
Molecular FormulaC22H22O4
Molecular Weight350.41 g/mol
Exact Mass350.15
IUPAC Name1-ethoxy-2-[(3-phenoxyphenyl)methylperoxymethyl]benzene
SMILESCCOc1ccccc1COOCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C22H22O4/c1-2-23-22-14-7-6-10-19(22)17-25-24-16-18-9-8-13-21(15-18)26-20-11-4-3-5-12-20/h3-15H,2,16-17H2,1H3
InChIKeyUAVSPFBSSTZWQF-UHFFFAOYSA-N
XLogP5.53
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.41
LogP ≤ 55.53
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

(2-ethoxy-5-phenoxyphenyl)methanamine
CID 82267172
3-[(2-ethoxyphenyl)methoxy]aniline
CID 54908931
3-[2-[[3-(4-bromophenoxy)phenyl]methoxy]phenyl]propanoic acid
CID 118642235
2-chloro-1-ethoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
CID 3067183
[3-[(3-phenoxyphenyl)methylperoxymethyl]phenyl]-phenylmethanone
CID 57045686
CID 163958367
CID 163958367
2-(2-ethoxy-5-phenoxyphenyl)-N-methylethanamine
CID 82552147
N-[(2-ethoxy-5-phenoxyphenyl)methyl]ethanamine
CID 82552134
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
[3-(4-ethoxyphenoxy)phenyl]methanamine
CID 58104515
1-[3-(4-ethoxyphenoxy)phenyl]propan-2-amine
CID 63941952
1-(but-1-en-2-yloxymethyl)-3-phenoxybenzene
CID 21281086

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-[(3-phenoxyphenyl)methylperoxymethyl]benzene?
The IUPAC name of 1-ethoxy-2-[(3-phenoxyphenyl)methylperoxymethyl]benzene (CID 57058545) is 1-ethoxy-2-[(3-phenoxyphenyl)methylperoxymethyl]benzene.
What is the SMILES notation for 1-ethoxy-2-[(3-phenoxyphenyl)methylperoxymethyl]benzene?
The canonical SMILES for 1-ethoxy-2-[(3-phenoxyphenyl)methylperoxymethyl]benzene is CCOc1ccccc1COOCc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-ethoxy-2-[(3-phenoxyphenyl)methylperoxymethyl]benzene?
The InChIKey is UAVSPFBSSTZWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O4/c1-2-23-22-14-7-6-10-19(22)17-25-24-16-18-9-8-13-21(15-18)26-20-11-4-3-5-12-20/h3-15H,2,16-17H2,1H3.
What are the key properties of 1-ethoxy-2-[(3-phenoxyphenyl)methylperoxymethyl]benzene?
1-ethoxy-2-[(3-phenoxyphenyl)methylperoxymethyl]benzene has a molecular weight of 350.41 g/mol, XLogP of 5.53, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-[(3-phenoxyphenyl)methylperoxymethyl]benzene is sourced from PubChem (CID 57058545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).