1-butyl-4-(2-propoxyethoxy)benzene

C15H24O2 — CID 118150005

IUPAC1-butyl-4-(2-propoxyethoxy)benzene
SMILESCCCCc1ccc(OCCOCCC)cc1
InChIInChI=1S/C15H24O2/c1-3-5-6-14-7-9-15(10-8-14)17-13-12-16-11-4-2/h7-10H,3-6,11-13H2,1-2H3
InChIKeyRNTOBXZELYGSJH-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.83
Rot. Bonds9

About 1-butyl-4-(2-propoxyethoxy)benzene

1-butyl-4-(2-propoxyethoxy)benzene (PubChem CID 118150005) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-butyl-4-(2-propoxyethoxy)benzene.

Molecular Properties

Compound Name1-butyl-4-(2-propoxyethoxy)benzene
PubChem CID118150005
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-butyl-4-(2-propoxyethoxy)benzene
SMILESCCCCc1ccc(OCCOCCC)cc1
InChIInChI=1S/C15H24O2/c1-3-5-6-14-7-9-15(10-8-14)17-13-12-16-11-4-2/h7-10H,3-6,11-13H2,1-2H3
InChIKeyRNTOBXZELYGSJH-UHFFFAOYSA-N
XLogP3.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-4-(2-propoxyethoxy)benzene
CID 91210467
1-(2-icosoxyethoxy)-4-nonylbenzene
CID 175309903
2-[2-[2-(4-undecylphenoxy)ethoxy]ethoxy]ethanol
CID 139672885
1-butyl-4-(4-chlorobutoxy)benzene
CID 115492522
1-hexoxy-4-pentylbenzene
CID 54277450
potassium;hydride;3-[2-(4-nonylphenoxy)ethoxy]propane-1-thiol
CID 175472561
1-[2-[2-(4-butylphenoxy)ethoxy]ethyl]-3-[4-[2-[2-(4-butylphenoxy)ethoxy]ethylcarbamoylamino]butyl]urea
CID 121385186
[4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine
CID 43254346
1-(2-butoxyethoxy)-4-(chloromethyl)benzene
CID 29003978
1-(4-bromobutoxy)-4-butylbenzene
CID 67807255
1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene
CID 70366041
4-[4-(2-butoxyethoxy)phenyl]butan-2-ol
CID 61483224

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(2-propoxyethoxy)benzene?
The IUPAC name of 1-butyl-4-(2-propoxyethoxy)benzene (CID 118150005) is 1-butyl-4-(2-propoxyethoxy)benzene.
What is the SMILES notation for 1-butyl-4-(2-propoxyethoxy)benzene?
The canonical SMILES for 1-butyl-4-(2-propoxyethoxy)benzene is CCCCc1ccc(OCCOCCC)cc1.
What is the InChIKey of 1-butyl-4-(2-propoxyethoxy)benzene?
The InChIKey is RNTOBXZELYGSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-3-5-6-14-7-9-15(10-8-14)17-13-12-16-11-4-2/h7-10H,3-6,11-13H2,1-2H3.
What are the key properties of 1-butyl-4-(2-propoxyethoxy)benzene?
1-butyl-4-(2-propoxyethoxy)benzene has a molecular weight of 236.35 g/mol, XLogP of 3.83, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(2-propoxyethoxy)benzene is sourced from PubChem (CID 118150005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).