2,3-diphenyl-1-benzofuran;2-hydroxyacetic acid

C22H18O4 — CID 70599531

IUPAC2,3-diphenyl-1-benzofuran;2-hydroxyacetic acid
SMILESO=C(O)CO.c1ccc(-c2oc3ccccc3c2-c2ccccc2)cc1
InChIInChI=1S/C20H14O.C2H4O3/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21-20(19)16-11-5-2-6-12-16;3-1-2(4)5/h1-14H;3H,1H2,(H,4,5)
InChIKeyZOAIBNXOTGQSFN-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.83
Rot. Bonds3

About 2,3-diphenyl-1-benzofuran;2-hydroxyacetic acid

2,3-diphenyl-1-benzofuran;2-hydroxyacetic acid (PubChem CID 70599531) has the molecular formula C22H18O4 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2,3-diphenyl-1-benzofuran;2-hydroxyacetic acid.

Molecular Properties

Compound Name2,3-diphenyl-1-benzofuran;2-hydroxyacetic acid
PubChem CID70599531
Molecular FormulaC22H18O4
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Name2,3-diphenyl-1-benzofuran;2-hydroxyacetic acid
SMILESO=C(O)CO.c1ccc(-c2oc3ccccc3c2-c2ccccc2)cc1
InChIInChI=1S/C20H14O.C2H4O3/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21-20(19)16-11-5-2-6-12-16;3-1-2(4)5/h1-14H;3H,1H2,(H,4,5)
InChIKeyZOAIBNXOTGQSFN-UHFFFAOYSA-N
XLogP4.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-1-benzofuran;2-hydroxyacetic acid?
The IUPAC name of 2,3-diphenyl-1-benzofuran;2-hydroxyacetic acid (CID 70599531) is 2,3-diphenyl-1-benzofuran;2-hydroxyacetic acid.
What is the SMILES notation for 2,3-diphenyl-1-benzofuran;2-hydroxyacetic acid?
The canonical SMILES for 2,3-diphenyl-1-benzofuran;2-hydroxyacetic acid is O=C(O)CO.c1ccc(-c2oc3ccccc3c2-c2ccccc2)cc1.
What is the InChIKey of 2,3-diphenyl-1-benzofuran;2-hydroxyacetic acid?
The InChIKey is ZOAIBNXOTGQSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O.C2H4O3/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21-20(19)16-11-5-2-6-12-16;3-1-2(4)5/h1-14H;3H,1H2,(H,4,5).
What are the key properties of 2,3-diphenyl-1-benzofuran;2-hydroxyacetic acid?
2,3-diphenyl-1-benzofuran;2-hydroxyacetic acid has a molecular weight of 346.38 g/mol, XLogP of 4.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-1-benzofuran;2-hydroxyacetic acid is sourced from PubChem (CID 70599531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).