7-[2-(2-butoxyethoxy)ethoxymethyl]-5-butyl-2,3-dihydro-1-benzofuran

C21H34O4 — CID 126673278

IUPAC7-[2-(2-butoxyethoxy)ethoxymethyl]-5-butyl-2,3-dihydro-1-benzofuran
SMILESCCCCOCCOCCOCc1cc(CCCC)cc2c1OCC2
InChIInChI=1S/C21H34O4/c1-3-5-7-18-15-19-8-10-25-21(19)20(16-18)17-24-14-13-23-12-11-22-9-6-4-2/h15-16H,3-14,17H2,1-2H3
InChIKeyGVQWMWYIJUHGEN-UHFFFAOYSA-N
MW350.50 g/mol
LogP4.31
Rot. Bonds14

About 7-[2-(2-butoxyethoxy)ethoxymethyl]-5-butyl-2,3-dihydro-1-benzofuran

7-[2-(2-butoxyethoxy)ethoxymethyl]-5-butyl-2,3-dihydro-1-benzofuran (PubChem CID 126673278) has the molecular formula C21H34O4 and a molecular weight of 350.50 g/mol. Its IUPAC name is 7-[2-(2-butoxyethoxy)ethoxymethyl]-5-butyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-[2-(2-butoxyethoxy)ethoxymethyl]-5-butyl-2,3-dihydro-1-benzofuran
PubChem CID126673278
Molecular FormulaC21H34O4
Molecular Weight350.50 g/mol
Exact Mass350.25
IUPAC Name7-[2-(2-butoxyethoxy)ethoxymethyl]-5-butyl-2,3-dihydro-1-benzofuran
SMILESCCCCOCCOCCOCc1cc(CCCC)cc2c1OCC2
InChIInChI=1S/C21H34O4/c1-3-5-7-18-15-19-8-10-25-21(19)20(16-18)17-24-14-13-23-12-11-22-9-6-4-2/h15-16H,3-14,17H2,1-2H3
InChIKeyGVQWMWYIJUHGEN-UHFFFAOYSA-N
XLogP4.31
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-butyl-7-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydro-1-benzofuran
CID 126698625
3-[(5-ethyl-2,3-dihydro-1-benzofuran-7-yl)methoxy]propan-1-ol
CID 70846960
5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole;tungsten
CID 87115513
5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole;niobium
CID 87087523
lithium;5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole;hydride
CID 172997576
magnesium;5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole;hydride;hydrochloride
CID 173191219
5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole;ethanol
CID 68583308
magnesium;butane;5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole;ethane
CID 87330887
2-(7-chloro-2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine
CID 83885677
CID 87241923
CID 87241923
CID 88614364
CID 88614364
5-butyl-6-methyl-2,3-dihydro-1-benzofuran;ethane
CID 159893574

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-butoxyethoxy)ethoxymethyl]-5-butyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-[2-(2-butoxyethoxy)ethoxymethyl]-5-butyl-2,3-dihydro-1-benzofuran (CID 126673278) is 7-[2-(2-butoxyethoxy)ethoxymethyl]-5-butyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-[2-(2-butoxyethoxy)ethoxymethyl]-5-butyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-[2-(2-butoxyethoxy)ethoxymethyl]-5-butyl-2,3-dihydro-1-benzofuran is CCCCOCCOCCOCc1cc(CCCC)cc2c1OCC2.
What is the InChIKey of 7-[2-(2-butoxyethoxy)ethoxymethyl]-5-butyl-2,3-dihydro-1-benzofuran?
The InChIKey is GVQWMWYIJUHGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O4/c1-3-5-7-18-15-19-8-10-25-21(19)20(16-18)17-24-14-13-23-12-11-22-9-6-4-2/h15-16H,3-14,17H2,1-2H3.
What are the key properties of 7-[2-(2-butoxyethoxy)ethoxymethyl]-5-butyl-2,3-dihydro-1-benzofuran?
7-[2-(2-butoxyethoxy)ethoxymethyl]-5-butyl-2,3-dihydro-1-benzofuran has a molecular weight of 350.50 g/mol, XLogP of 4.31, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-butoxyethoxy)ethoxymethyl]-5-butyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 126673278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).