3-dibenzofuran-2-ylpropanoic acid

C15H12O3 — CID 2728916

IUPAC3-dibenzofuran-2-ylpropanoic acid
SMILESO=C(O)CCc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C15H12O3/c16-15(17)8-6-10-5-7-14-12(9-10)11-3-1-2-4-13(11)18-14/h1-5,7,9H,6,8H2,(H,16,17)
InChIKeyMNWYEKQCQFAIEM-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.60
Rot. Bonds3

About 3-dibenzofuran-2-ylpropanoic acid

3-dibenzofuran-2-ylpropanoic acid (PubChem CID 2728916) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-dibenzofuran-2-ylpropanoic acid.

Molecular Properties

Compound Name3-dibenzofuran-2-ylpropanoic acid
PubChem CID2728916
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name3-dibenzofuran-2-ylpropanoic acid
SMILESO=C(O)CCc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C15H12O3/c16-15(17)8-6-10-5-7-14-12(9-10)11-3-1-2-4-13(11)18-14/h1-5,7,9H,6,8H2,(H,16,17)
InChIKeyMNWYEKQCQFAIEM-UHFFFAOYSA-N
XLogP3.60
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(dibenzofuran-2-ylsulfamoyl)phenyl]propanoic acid
CID 9235437
2-dibenzofuran-2-ylethanol
CID 567048
2-[3-[6,10-bis(3-dibenzofuran-2-ylpropyl)triphenylen-2-yl]propyl]dibenzofuran
CID 59412017
1-dibenzofuran-2-yl-2-phenylethanone
CID 15691957
3-dibenzofuran-2-ylpropan-1-amine chloride
CID 5351909
5-dibenzofuran-2-ylpentan-1-amine
CID 65300721
2-[(R)-dibenzofuran-2-ylmethylsulfinyl]acetamide
CID 129383109
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
(2S)-2-benzoylsulfanyl-3-dibenzofuran-2-ylpropanoic acid
CID 10270879
2-(2-methylpropyl)dibenzofuran
CID 59877560
3-[4-[[3-(1-benzofuran-2-yl)propanoylamino]methyl]phenyl]propanoic acid
CID 167847200
[4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone
CID 71375763

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-ylpropanoic acid?
The IUPAC name of 3-dibenzofuran-2-ylpropanoic acid (CID 2728916) is 3-dibenzofuran-2-ylpropanoic acid.
What is the SMILES notation for 3-dibenzofuran-2-ylpropanoic acid?
The canonical SMILES for 3-dibenzofuran-2-ylpropanoic acid is O=C(O)CCc1ccc2oc3ccccc3c2c1.
What is the InChIKey of 3-dibenzofuran-2-ylpropanoic acid?
The InChIKey is MNWYEKQCQFAIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c16-15(17)8-6-10-5-7-14-12(9-10)11-3-1-2-4-13(11)18-14/h1-5,7,9H,6,8H2,(H,16,17).
What are the key properties of 3-dibenzofuran-2-ylpropanoic acid?
3-dibenzofuran-2-ylpropanoic acid has a molecular weight of 240.26 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-ylpropanoic acid is sourced from PubChem (CID 2728916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).