1-(1-phenoxyethylperoxy)ethoxybenzene

C16H18O4 — CID 175523991

IUPAC1-(1-phenoxyethylperoxy)ethoxybenzene
SMILESCC(OOC(C)Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C16H18O4/c1-13(17-15-9-5-3-6-10-15)19-20-14(2)18-16-11-7-4-8-12-16/h3-14H,1-2H3
InChIKeyZBGLLPDCXPLUMG-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.78
Rot. Bonds7

About 1-(1-phenoxyethylperoxy)ethoxybenzene

1-(1-phenoxyethylperoxy)ethoxybenzene (PubChem CID 175523991) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(1-phenoxyethylperoxy)ethoxybenzene.

Molecular Properties

Compound Name1-(1-phenoxyethylperoxy)ethoxybenzene
PubChem CID175523991
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name1-(1-phenoxyethylperoxy)ethoxybenzene
SMILESCC(OOC(C)Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C16H18O4/c1-13(17-15-9-5-3-6-10-15)19-20-14(2)18-16-11-7-4-8-12-16/h3-14H,1-2H3
InChIKeyZBGLLPDCXPLUMG-UHFFFAOYSA-N
XLogP3.78
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-methoxyethoxybenzene
CID 18188895
tris[4-(1-phenoxyethoxy)phenyl]sulfanium
CID 139829592
[(1R)-1-fluoroethoxy]benzene
CID 175733278
1-phenoxyethanol
CID 66611531
2-(1-phenoxyethylperoxy)benzoic acid
CID 21292810
dimethyl(diphenoxy)phosphanium
CID 118068912
1-(2-bromoethoxy)ethoxybenzene
CID 69208548
1-phenoxyethoxycarbonyloxy 1-phenoxyethyl carbonate
CID 88732415
dimethyl-[1-(1-phenoxyethoxy)ethyl]azanium chloride
CID 18996484
1-phenoxyethanol;trihydrate
CID 175915128
bis(2-methylpropyl)-(1-phenoxyethoxy)alumane
CID 139905308
1-phenoxyethanesulfonyl chloride
CID 18351740

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenoxyethylperoxy)ethoxybenzene?
The IUPAC name of 1-(1-phenoxyethylperoxy)ethoxybenzene (CID 175523991) is 1-(1-phenoxyethylperoxy)ethoxybenzene.
What is the SMILES notation for 1-(1-phenoxyethylperoxy)ethoxybenzene?
The canonical SMILES for 1-(1-phenoxyethylperoxy)ethoxybenzene is CC(OOC(C)Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 1-(1-phenoxyethylperoxy)ethoxybenzene?
The InChIKey is ZBGLLPDCXPLUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-13(17-15-9-5-3-6-10-15)19-20-14(2)18-16-11-7-4-8-12-16/h3-14H,1-2H3.
What are the key properties of 1-(1-phenoxyethylperoxy)ethoxybenzene?
1-(1-phenoxyethylperoxy)ethoxybenzene has a molecular weight of 274.32 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenoxyethylperoxy)ethoxybenzene is sourced from PubChem (CID 175523991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).