4-dibenzofuran-1-yloxybutanoic acid

C16H14O4 — CID 23223511

IUPAC4-dibenzofuran-1-yloxybutanoic acid
SMILESO=C(O)CCCOc1cccc2oc3ccccc3c12
InChIInChI=1S/C16H14O4/c17-15(18)9-4-10-19-13-7-3-8-14-16(13)11-5-1-2-6-12(11)20-14/h1-3,5-8H,4,9-10H2,(H,17,18)
InChIKeyKMCZULMPTRVPKE-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.83
Rot. Bonds5

About 4-dibenzofuran-1-yloxybutanoic acid

4-dibenzofuran-1-yloxybutanoic acid (PubChem CID 23223511) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 4-dibenzofuran-1-yloxybutanoic acid.

Molecular Properties

Compound Name4-dibenzofuran-1-yloxybutanoic acid
PubChem CID23223511
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name4-dibenzofuran-1-yloxybutanoic acid
SMILESO=C(O)CCCOc1cccc2oc3ccccc3c12
InChIInChI=1S/C16H14O4/c17-15(18)9-4-10-19-13-7-3-8-14-16(13)11-5-1-2-6-12(11)20-14/h1-3,5-8H,4,9-10H2,(H,17,18)
InChIKeyKMCZULMPTRVPKE-UHFFFAOYSA-N
XLogP3.83
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.83
H-Bond Donors ≤ 51
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-dibenzofuran-1-yloxybutanoic acid?
The IUPAC name of 4-dibenzofuran-1-yloxybutanoic acid (CID 23223511) is 4-dibenzofuran-1-yloxybutanoic acid.
What is the SMILES notation for 4-dibenzofuran-1-yloxybutanoic acid?
The canonical SMILES for 4-dibenzofuran-1-yloxybutanoic acid is O=C(O)CCCOc1cccc2oc3ccccc3c12.
What is the InChIKey of 4-dibenzofuran-1-yloxybutanoic acid?
The InChIKey is KMCZULMPTRVPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c17-15(18)9-4-10-19-13-7-3-8-14-16(13)11-5-1-2-6-12(11)20-14/h1-3,5-8H,4,9-10H2,(H,17,18).
What are the key properties of 4-dibenzofuran-1-yloxybutanoic acid?
4-dibenzofuran-1-yloxybutanoic acid has a molecular weight of 270.28 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-1-yloxybutanoic acid is sourced from PubChem (CID 23223511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).