1-propyl-4-[2-[2-(4-propylphenyl)ethylperoxy]ethyl]benzene

C22H30O2 — CID 174424801

IUPAC1-propyl-4-[2-[2-(4-propylphenyl)ethylperoxy]ethyl]benzene
SMILESCCCc1ccc(CCOOCCc2ccc(CCC)cc2)cc1
InChIInChI=1S/C22H30O2/c1-3-5-19-7-11-21(12-8-19)15-17-23-24-18-16-22-13-9-20(6-4-2)10-14-22/h7-14H,3-6,15-18H2,1-2H3
InChIKeyNIGAJCPKHVRRGH-UHFFFAOYSA-N
MW326.48 g/mol
LogP5.32
Rot. Bonds11

About 1-propyl-4-[2-[2-(4-propylphenyl)ethylperoxy]ethyl]benzene

1-propyl-4-[2-[2-(4-propylphenyl)ethylperoxy]ethyl]benzene (PubChem CID 174424801) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is 1-propyl-4-[2-[2-(4-propylphenyl)ethylperoxy]ethyl]benzene.

Molecular Properties

Compound Name1-propyl-4-[2-[2-(4-propylphenyl)ethylperoxy]ethyl]benzene
PubChem CID174424801
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Name1-propyl-4-[2-[2-(4-propylphenyl)ethylperoxy]ethyl]benzene
SMILESCCCc1ccc(CCOOCCc2ccc(CCC)cc2)cc1
InChIInChI=1S/C22H30O2/c1-3-5-19-7-11-21(12-8-19)15-17-23-24-18-16-22-13-9-20(6-4-2)10-14-22/h7-14H,3-6,15-18H2,1-2H3
InChIKeyNIGAJCPKHVRRGH-UHFFFAOYSA-N
XLogP5.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze 1-propyl-4-[2-[2-(4-propylphenyl)ethylperoxy]ethyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-propyl-4-[2-[2-(4-propylphenyl)ethoxy]ethyl]benzene
CID 167637922
N-ethyl-4-(2-ethylperoxyethyl)aniline
CID 89031975
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
1-(2-phenylethoxy)-4-propylbenzene
CID 70483798
(4-propylphenyl) hypochlorite
CID 175330115
magnesium;1-bromo-4-propylbenzene;hydride
CID 173224874
1-(2-ethylperoxyethyl)-4-ethylsulfanylbenzene
CID 87085267
butane;1-(2-phenylethoxy)-4-propylbenzene
CID 142957775
1-fluoro-4-propylbenzene
CID 2737505
ethane;1-methoxy-4-propylbenzene
CID 142085762
1-(2-ethylperoxyethyl)-4-ethylsulfonylbenzene
CID 87085296
1-nonoxy-4-propylbenzene
CID 118632119

Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-[2-[2-(4-propylphenyl)ethylperoxy]ethyl]benzene?
The IUPAC name of 1-propyl-4-[2-[2-(4-propylphenyl)ethylperoxy]ethyl]benzene (CID 174424801) is 1-propyl-4-[2-[2-(4-propylphenyl)ethylperoxy]ethyl]benzene.
What is the SMILES notation for 1-propyl-4-[2-[2-(4-propylphenyl)ethylperoxy]ethyl]benzene?
The canonical SMILES for 1-propyl-4-[2-[2-(4-propylphenyl)ethylperoxy]ethyl]benzene is CCCc1ccc(CCOOCCc2ccc(CCC)cc2)cc1.
What is the InChIKey of 1-propyl-4-[2-[2-(4-propylphenyl)ethylperoxy]ethyl]benzene?
The InChIKey is NIGAJCPKHVRRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2/c1-3-5-19-7-11-21(12-8-19)15-17-23-24-18-16-22-13-9-20(6-4-2)10-14-22/h7-14H,3-6,15-18H2,1-2H3.
What are the key properties of 1-propyl-4-[2-[2-(4-propylphenyl)ethylperoxy]ethyl]benzene?
1-propyl-4-[2-[2-(4-propylphenyl)ethylperoxy]ethyl]benzene has a molecular weight of 326.48 g/mol, XLogP of 5.32, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-[2-[2-(4-propylphenyl)ethylperoxy]ethyl]benzene is sourced from PubChem (CID 174424801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).