4-(4-phenoxybutoxy)-1-benzofuran

C18H18O3 — CID 42631366

IUPAC4-(4-phenoxybutoxy)-1-benzofuran
SMILESc1ccc(OCCCCOc2cccc3occc23)cc1
InChIInChI=1S/C18H18O3/c1-2-7-15(8-3-1)19-12-4-5-13-20-17-9-6-10-18-16(17)11-14-21-18/h1-3,6-11,14H,4-5,12-13H2
InChIKeyBVNFAUAGGNZVBN-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.67
Rot. Bonds7

About 4-(4-phenoxybutoxy)-1-benzofuran

4-(4-phenoxybutoxy)-1-benzofuran (PubChem CID 42631366) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-(4-phenoxybutoxy)-1-benzofuran.

Molecular Properties

Compound Name4-(4-phenoxybutoxy)-1-benzofuran
PubChem CID42631366
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name4-(4-phenoxybutoxy)-1-benzofuran
SMILESc1ccc(OCCCCOc2cccc3occc23)cc1
InChIInChI=1S/C18H18O3/c1-2-7-15(8-3-1)19-12-4-5-13-20-17-9-6-10-18-16(17)11-14-21-18/h1-3,6-11,14H,4-5,12-13H2
InChIKeyBVNFAUAGGNZVBN-UHFFFAOYSA-N
XLogP4.67
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenoxybutoxy)-1-benzofuran?
The IUPAC name of 4-(4-phenoxybutoxy)-1-benzofuran (CID 42631366) is 4-(4-phenoxybutoxy)-1-benzofuran.
What is the SMILES notation for 4-(4-phenoxybutoxy)-1-benzofuran?
The canonical SMILES for 4-(4-phenoxybutoxy)-1-benzofuran is c1ccc(OCCCCOc2cccc3occc23)cc1.
What is the InChIKey of 4-(4-phenoxybutoxy)-1-benzofuran?
The InChIKey is BVNFAUAGGNZVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-2-7-15(8-3-1)19-12-4-5-13-20-17-9-6-10-18-16(17)11-14-21-18/h1-3,6-11,14H,4-5,12-13H2.
What are the key properties of 4-(4-phenoxybutoxy)-1-benzofuran?
4-(4-phenoxybutoxy)-1-benzofuran has a molecular weight of 282.34 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenoxybutoxy)-1-benzofuran is sourced from PubChem (CID 42631366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).