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

C22H30O — CID 167637922

IUPAC1-propyl-4-[2-[2-(4-propylphenyl)ethoxy]ethyl]benzene
SMILESCCCc1ccc(CCOCCc2ccc(CCC)cc2)cc1
InChIInChI=1S/C22H30O/c1-3-5-19-7-11-21(12-8-19)15-17-23-18-16-22-13-9-20(6-4-2)10-14-22/h7-14H,3-6,15-18H2,1-2H3
InChIKeyOSYJJGYBOSCCKT-UHFFFAOYSA-N
MW310.48 g/mol
LogP5.39
Rot. Bonds10

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

1-propyl-4-[2-[2-(4-propylphenyl)ethoxy]ethyl]benzene (PubChem CID 167637922) has the molecular formula C22H30O and a molecular weight of 310.48 g/mol. Its IUPAC name is 1-propyl-4-[2-[2-(4-propylphenyl)ethoxy]ethyl]benzene.

Molecular Properties

Compound Name1-propyl-4-[2-[2-(4-propylphenyl)ethoxy]ethyl]benzene
PubChem CID167637922
Molecular FormulaC22H30O
Molecular Weight310.48 g/mol
Exact Mass310.23
IUPAC Name1-propyl-4-[2-[2-(4-propylphenyl)ethoxy]ethyl]benzene
SMILESCCCc1ccc(CCOCCc2ccc(CCC)cc2)cc1
InChIInChI=1S/C22H30O/c1-3-5-19-7-11-21(12-8-19)15-17-23-18-16-22-13-9-20(6-4-2)10-14-22/h7-14H,3-6,15-18H2,1-2H3
InChIKeyOSYJJGYBOSCCKT-UHFFFAOYSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-propyl-4-[2-[2-(4-propylphenyl)ethylperoxy]ethyl]benzene
CID 174424801
2-[2-(4-butylphenyl)ethoxy]ethanamine
CID 65300871
1-(2-ethoxyethyl)-4-ethylbenzene
CID 70640844
4-(2-pentoxyethyl)phenol
CID 67806399
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
2-pentoxyethylbenzene
CID 3022447
3-propoxy-1-(4-propylphenyl)propan-1-amine
CID 105144351
1-(2-heptoxyethyl)-4-methoxybenzene
CID 54035904
1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene
CID 70366041
1-(2-phenylethoxy)-4-propylbenzene
CID 70483798
1-[2-(fluoromethoxy)ethyl]-4-pentylbenzene
CID 59329390
(4-propylphenyl) hypochlorite
CID 175330115

Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-[2-[2-(4-propylphenyl)ethoxy]ethyl]benzene?
The IUPAC name of 1-propyl-4-[2-[2-(4-propylphenyl)ethoxy]ethyl]benzene (CID 167637922) is 1-propyl-4-[2-[2-(4-propylphenyl)ethoxy]ethyl]benzene.
What is the SMILES notation for 1-propyl-4-[2-[2-(4-propylphenyl)ethoxy]ethyl]benzene?
The canonical SMILES for 1-propyl-4-[2-[2-(4-propylphenyl)ethoxy]ethyl]benzene is CCCc1ccc(CCOCCc2ccc(CCC)cc2)cc1.
What is the InChIKey of 1-propyl-4-[2-[2-(4-propylphenyl)ethoxy]ethyl]benzene?
The InChIKey is OSYJJGYBOSCCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O/c1-3-5-19-7-11-21(12-8-19)15-17-23-18-16-22-13-9-20(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)ethoxy]ethyl]benzene?
1-propyl-4-[2-[2-(4-propylphenyl)ethoxy]ethyl]benzene has a molecular weight of 310.48 g/mol, XLogP of 5.39, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-[2-[2-(4-propylphenyl)ethoxy]ethyl]benzene is sourced from PubChem (CID 167637922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).