4-dibenzofuran-2-yloxybut-2-enoic acid

C16H12O4 — CID 76940836

IUPAC4-dibenzofuran-2-yloxybut-2-enoic acid
SMILESO=C(O)C=CCOc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C16H12O4/c17-16(18)6-3-9-19-11-7-8-15-13(10-11)12-4-1-2-5-14(12)20-15/h1-8,10H,9H2,(H,17,18)
InChIKeyWSFVTYJUPUTSNX-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.61
Rot. Bonds4

About 4-dibenzofuran-2-yloxybut-2-enoic acid

4-dibenzofuran-2-yloxybut-2-enoic acid (PubChem CID 76940836) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-dibenzofuran-2-yloxybut-2-enoic acid.

Molecular Properties

Compound Name4-dibenzofuran-2-yloxybut-2-enoic acid
PubChem CID76940836
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name4-dibenzofuran-2-yloxybut-2-enoic acid
SMILESO=C(O)C=CCOc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C16H12O4/c17-16(18)6-3-9-19-11-7-8-15-13(10-11)12-4-1-2-5-14(12)20-15/h1-8,10H,9H2,(H,17,18)
InChIKeyWSFVTYJUPUTSNX-UHFFFAOYSA-N
XLogP3.61
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

dibenzofuran-2-yl 2-phenoxyacetate
CID 2591809
3-dibenzofuran-2-yloxybutanoic acid
CID 43536200
(E)-4-(3-ethoxyphenoxy)but-2-enoic acid
CID 62341931
(E)-4-(3-fluorophenoxy)but-2-enoic acid
CID 62342887
dibenzofuran-2-yl 3-methylbut-2-enoate
CID 30707785
2-dibenzofuran-2-yloxy-N-(1-phenylethyl)acetamide
CID 3648980
dibenzofuran-2-yl (E)-3-cyclopropylprop-2-enoate
CID 167835618
dibenzofuran-2-yl hydrogen sulfite
CID 174423504
CID 67500547
CID 67500547
(E)-4-(4-bromo-3-fluorophenoxy)but-2-enoic acid
CID 65203874
2-(6-bromohexoxy)dibenzofuran
CID 102246595
dibenzofuran-2-yl 2-(4-chlorophenoxy)acetate
CID 5153228

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yloxybut-2-enoic acid?
The IUPAC name of 4-dibenzofuran-2-yloxybut-2-enoic acid (CID 76940836) is 4-dibenzofuran-2-yloxybut-2-enoic acid.
What is the SMILES notation for 4-dibenzofuran-2-yloxybut-2-enoic acid?
The canonical SMILES for 4-dibenzofuran-2-yloxybut-2-enoic acid is O=C(O)C=CCOc1ccc2oc3ccccc3c2c1.
What is the InChIKey of 4-dibenzofuran-2-yloxybut-2-enoic acid?
The InChIKey is WSFVTYJUPUTSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c17-16(18)6-3-9-19-11-7-8-15-13(10-11)12-4-1-2-5-14(12)20-15/h1-8,10H,9H2,(H,17,18).
What are the key properties of 4-dibenzofuran-2-yloxybut-2-enoic acid?
4-dibenzofuran-2-yloxybut-2-enoic acid has a molecular weight of 268.27 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-2-yloxybut-2-enoic acid is sourced from PubChem (CID 76940836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).