2-(1-butoxypropoxy)ethylbenzene

C15H24O2 — CID 71445945

IUPAC2-(1-butoxypropoxy)ethylbenzene
SMILESCCCCOC(CC)OCCc1ccccc1
InChIInChI=1S/C15H24O2/c1-3-5-12-16-15(4-2)17-13-11-14-9-7-6-8-10-14/h6-10,15H,3-5,11-13H2,1-2H3
InChIKeyLKLLIGHNMYIFHJ-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.80
Rot. Bonds9

About 2-(1-butoxypropoxy)ethylbenzene

2-(1-butoxypropoxy)ethylbenzene (PubChem CID 71445945) has the molecular formula C15H24O2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(1-butoxypropoxy)ethylbenzene.

Molecular Properties

Compound Name2-(1-butoxypropoxy)ethylbenzene
PubChem CID71445945
Molecular FormulaC15H24O2
Molecular Weight236.36 g/mol
Exact Mass236.18
IUPAC Name2-(1-butoxypropoxy)ethylbenzene
SMILESCCCCOC(CC)OCCc1ccccc1
InChIInChI=1S/C15H24O2/c1-3-5-12-16-15(4-2)17-13-11-14-9-7-6-8-10-14/h6-10,15H,3-5,11-13H2,1-2H3
InChIKeyLKLLIGHNMYIFHJ-UHFFFAOYSA-N
XLogP3.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-di(undecoxy)ethylbenzene
CID 3023162
2-(butoxymethoxy)ethylbenzene
CID 14640423
2-pentoxyethylbenzene
CID 3022447
[(2R,3S)-3-butoxybutan-2-yl]oxymethylbenzene
CID 57055398
1-(3-phenyl-1-tetradecoxypropoxy)propan-2-ol
CID 70586721
10-butoxydecylbenzene
CID 151496754
1-(2-phenylethoxy)propane-1,2-diol
CID 140994820
N-methyl-3-(2-phenylethoxy)pentan-1-amine
CID 142009741
2-[1-[1-(2-phenylethoxy)ethoxy]ethoxy]ethylbenzene
CID 68855173
lithium;butoxymethylbenzene;hydride
CID 175482454
CID 150343713
CID 150343713
1-butyl-4-(2-phenylmethoxyethyl)benzene
CID 137452332

Frequently Asked Questions

What is the IUPAC name of 2-(1-butoxypropoxy)ethylbenzene?
The IUPAC name of 2-(1-butoxypropoxy)ethylbenzene (CID 71445945) is 2-(1-butoxypropoxy)ethylbenzene.
What is the SMILES notation for 2-(1-butoxypropoxy)ethylbenzene?
The canonical SMILES for 2-(1-butoxypropoxy)ethylbenzene is CCCCOC(CC)OCCc1ccccc1.
What is the InChIKey of 2-(1-butoxypropoxy)ethylbenzene?
The InChIKey is LKLLIGHNMYIFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-3-5-12-16-15(4-2)17-13-11-14-9-7-6-8-10-14/h6-10,15H,3-5,11-13H2,1-2H3.
What are the key properties of 2-(1-butoxypropoxy)ethylbenzene?
2-(1-butoxypropoxy)ethylbenzene has a molecular weight of 236.36 g/mol, XLogP of 3.80, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butoxypropoxy)ethylbenzene is sourced from PubChem (CID 71445945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).