2-dibenzofuran-4-ylacetic acid

C14H10O3 — CID 14801626

IUPAC2-dibenzofuran-4-ylacetic acid
SMILESO=C(O)Cc1cccc2c1oc1ccccc12
InChIInChI=1S/C14H10O3/c15-13(16)8-9-4-3-6-11-10-5-1-2-7-12(10)17-14(9)11/h1-7H,8H2,(H,15,16)
InChIKeySPOQISQKKLHFEA-UHFFFAOYSA-N
MW226.23 g/mol
LogP3.21
Rot. Bonds2

About 2-dibenzofuran-4-ylacetic acid

2-dibenzofuran-4-ylacetic acid (PubChem CID 14801626) has the molecular formula C14H10O3 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-dibenzofuran-4-ylacetic acid.

Molecular Properties

Compound Name2-dibenzofuran-4-ylacetic acid
PubChem CID14801626
Molecular FormulaC14H10O3
Molecular Weight226.23 g/mol
Exact Mass226.06
IUPAC Name2-dibenzofuran-4-ylacetic acid
SMILESO=C(O)Cc1cccc2c1oc1ccccc12
InChIInChI=1S/C14H10O3/c15-13(16)8-9-4-3-6-11-10-5-1-2-7-12(10)17-14(9)11/h1-7H,8H2,(H,15,16)
InChIKeySPOQISQKKLHFEA-UHFFFAOYSA-N
XLogP3.21
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-ylacetic acid?
The IUPAC name of 2-dibenzofuran-4-ylacetic acid (CID 14801626) is 2-dibenzofuran-4-ylacetic acid.
What is the SMILES notation for 2-dibenzofuran-4-ylacetic acid?
The canonical SMILES for 2-dibenzofuran-4-ylacetic acid is O=C(O)Cc1cccc2c1oc1ccccc12.
What is the InChIKey of 2-dibenzofuran-4-ylacetic acid?
The InChIKey is SPOQISQKKLHFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3/c15-13(16)8-9-4-3-6-11-10-5-1-2-7-12(10)17-14(9)11/h1-7H,8H2,(H,15,16).
What are the key properties of 2-dibenzofuran-4-ylacetic acid?
2-dibenzofuran-4-ylacetic acid has a molecular weight of 226.23 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-ylacetic acid is sourced from PubChem (CID 14801626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).