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

C18H28O4 — CID 126698625

IUPAC5-butyl-7-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydro-1-benzofuran
SMILESCCCCc1cc2c(c(COCCOCCOC)c1)OCC2
InChIInChI=1S/C18H28O4/c1-3-4-5-15-12-16-6-7-22-18(16)17(13-15)14-21-11-10-20-9-8-19-2/h12-13H,3-11,14H2,1-2H3
InChIKeyKWRZDSGPSBWSBC-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.14
Rot. Bonds11

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

5-butyl-7-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydro-1-benzofuran (PubChem CID 126698625) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is 5-butyl-7-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-butyl-7-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydro-1-benzofuran
PubChem CID126698625
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Name5-butyl-7-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydro-1-benzofuran
SMILESCCCCc1cc2c(c(COCCOCCOC)c1)OCC2
InChIInChI=1S/C18H28O4/c1-3-4-5-15-12-16-6-7-22-18(16)17(13-15)14-21-11-10-20-9-8-19-2/h12-13H,3-11,14H2,1-2H3
InChIKeyKWRZDSGPSBWSBC-UHFFFAOYSA-N
XLogP3.14
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.14
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

7-[2-(2-butoxyethoxy)ethoxymethyl]-5-butyl-2,3-dihydro-1-benzofuran
CID 126673278
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-(2-methoxyethoxy)propan-2-one
CID 114032554
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-4-(2-methoxyethoxy)butan-2-ol
CID 102927503
7-(2-butoxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43260155
3-amino-1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4-methoxybutan-2-one
CID 116594227
5-ethyl-7-methoxy-2,3-dihydro-1-benzofuran
CID 170265985
1-(2,3-dihydro-1-benzofuran-5-yl)-5-(2-methoxyethoxy)pentan-3-ol
CID 102927687
5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole;niobium
CID 87087523
5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole;tungsten
CID 87115513
lithium;5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole;hydride
CID 172997576
5-[5-(2-methoxyethoxy)pentyl]benzene-1,3-diol
CID 23313285
5-butyl-6-methyl-2,3-dihydro-1-benzofuran;ethane
CID 159893574

Frequently Asked Questions

What is the IUPAC name of 5-butyl-7-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-butyl-7-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydro-1-benzofuran (CID 126698625) is 5-butyl-7-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-butyl-7-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-butyl-7-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydro-1-benzofuran is CCCCc1cc2c(c(COCCOCCOC)c1)OCC2.
What is the InChIKey of 5-butyl-7-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydro-1-benzofuran?
The InChIKey is KWRZDSGPSBWSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O4/c1-3-4-5-15-12-16-6-7-22-18(16)17(13-15)14-21-11-10-20-9-8-19-2/h12-13H,3-11,14H2,1-2H3.
What are the key properties of 5-butyl-7-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydro-1-benzofuran?
5-butyl-7-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydro-1-benzofuran has a molecular weight of 308.42 g/mol, XLogP of 3.14, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-7-[2-(2-methoxyethoxy)ethoxymethyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 126698625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).