3-dibenzofuran-2-yloxybutanoic acid

C16H14O4 — CID 43536200

IUPAC3-dibenzofuran-2-yloxybutanoic acid
SMILESCC(CC(=O)O)Oc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C16H14O4/c1-10(8-16(17)18)19-11-6-7-15-13(9-11)12-4-2-3-5-14(12)20-15/h2-7,9-10H,8H2,1H3,(H,17,18)
InChIKeyUWPALFKHKDJCJM-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.83
Rot. Bonds4

About 3-dibenzofuran-2-yloxybutanoic acid

3-dibenzofuran-2-yloxybutanoic acid (PubChem CID 43536200) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 3-dibenzofuran-2-yloxybutanoic acid.

Molecular Properties

Compound Name3-dibenzofuran-2-yloxybutanoic acid
PubChem CID43536200
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name3-dibenzofuran-2-yloxybutanoic acid
SMILESCC(CC(=O)O)Oc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C16H14O4/c1-10(8-16(17)18)19-11-6-7-15-13(9-11)12-4-2-3-5-14(12)20-15/h2-7,9-10H,8H2,1H3,(H,17,18)
InChIKeyUWPALFKHKDJCJM-UHFFFAOYSA-N
XLogP3.83
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

2-dibenzofuran-2-yloxy-N-(1-phenylethyl)acetamide
CID 3648980
1-dibenzofuran-2-yl-3-methylbutan-1-one
CID 43160223
dibenzofuran-2-yl 2-phenoxyacetate
CID 2591809
dibenzofuran-2-yl 3-methylbut-2-enoate
CID 30707785
(2R)-N-(4-bromophenyl)-2-dibenzofuran-2-yloxypropanamide
CID 7916408
4-dibenzofuran-2-yloxybut-2-enoic acid
CID 76940836
(2S)-N-(4-acetylphenyl)-2-dibenzofuran-2-yloxypropanamide
CID 30545915
3-dibenzofuran-2-ylpropanoic acid
CID 2728916
dibenzofuran-2-yl hydrogen sulfite
CID 174423504
(2R)-2-dibenzofuran-2-yloxy-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
CID 42554771
CID 67500547
CID 67500547
N-dibenzofuran-2-yl-3-methylbutanamide
CID 18082320

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yloxybutanoic acid?
The IUPAC name of 3-dibenzofuran-2-yloxybutanoic acid (CID 43536200) is 3-dibenzofuran-2-yloxybutanoic acid.
What is the SMILES notation for 3-dibenzofuran-2-yloxybutanoic acid?
The canonical SMILES for 3-dibenzofuran-2-yloxybutanoic acid is CC(CC(=O)O)Oc1ccc2oc3ccccc3c2c1.
What is the InChIKey of 3-dibenzofuran-2-yloxybutanoic acid?
The InChIKey is UWPALFKHKDJCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-10(8-16(17)18)19-11-6-7-15-13(9-11)12-4-2-3-5-14(12)20-15/h2-7,9-10H,8H2,1H3,(H,17,18).
What are the key properties of 3-dibenzofuran-2-yloxybutanoic acid?
3-dibenzofuran-2-yloxybutanoic acid has a molecular weight of 270.28 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yloxybutanoic acid is sourced from PubChem (CID 43536200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).