6-hydroxy-2-phenyl-3-(2-phenylethyl)-1-benzofuran-5-carboxylic acid

C23H18O4 — CID 90244877

IUPAC6-hydroxy-2-phenyl-3-(2-phenylethyl)-1-benzofuran-5-carboxylic acid
SMILESO=C(O)c1cc2c(CCc3ccccc3)c(-c3ccccc3)oc2cc1O
InChIInChI=1S/C23H18O4/c24-20-14-21-18(13-19(20)23(25)26)17(12-11-15-7-3-1-4-8-15)22(27-21)16-9-5-2-6-10-16/h1-10,13-14,24H,11-12H2,(H,25,26)
InChIKeyVBBVTOIOGHVAJP-UHFFFAOYSA-N
MW358.39 g/mol
LogP5.29
Rot. Bonds5

About 6-hydroxy-2-phenyl-3-(2-phenylethyl)-1-benzofuran-5-carboxylic acid

6-hydroxy-2-phenyl-3-(2-phenylethyl)-1-benzofuran-5-carboxylic acid (PubChem CID 90244877) has the molecular formula C23H18O4 and a molecular weight of 358.39 g/mol. Its IUPAC name is 6-hydroxy-2-phenyl-3-(2-phenylethyl)-1-benzofuran-5-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-2-phenyl-3-(2-phenylethyl)-1-benzofuran-5-carboxylic acid
PubChem CID90244877
Molecular FormulaC23H18O4
Molecular Weight358.39 g/mol
Exact Mass358.12
IUPAC Name6-hydroxy-2-phenyl-3-(2-phenylethyl)-1-benzofuran-5-carboxylic acid
SMILESO=C(O)c1cc2c(CCc3ccccc3)c(-c3ccccc3)oc2cc1O
InChIInChI=1S/C23H18O4/c24-20-14-21-18(13-19(20)23(25)26)17(12-11-15-7-3-1-4-8-15)22(27-21)16-9-5-2-6-10-16/h1-10,13-14,24H,11-12H2,(H,25,26)
InChIKeyVBBVTOIOGHVAJP-UHFFFAOYSA-N
XLogP5.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.39
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-phenyl-3-(2-phenylethyl)-1-benzofuran-5-carboxylic acid?
The IUPAC name of 6-hydroxy-2-phenyl-3-(2-phenylethyl)-1-benzofuran-5-carboxylic acid (CID 90244877) is 6-hydroxy-2-phenyl-3-(2-phenylethyl)-1-benzofuran-5-carboxylic acid.
What is the SMILES notation for 6-hydroxy-2-phenyl-3-(2-phenylethyl)-1-benzofuran-5-carboxylic acid?
The canonical SMILES for 6-hydroxy-2-phenyl-3-(2-phenylethyl)-1-benzofuran-5-carboxylic acid is O=C(O)c1cc2c(CCc3ccccc3)c(-c3ccccc3)oc2cc1O.
What is the InChIKey of 6-hydroxy-2-phenyl-3-(2-phenylethyl)-1-benzofuran-5-carboxylic acid?
The InChIKey is VBBVTOIOGHVAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O4/c24-20-14-21-18(13-19(20)23(25)26)17(12-11-15-7-3-1-4-8-15)22(27-21)16-9-5-2-6-10-16/h1-10,13-14,24H,11-12H2,(H,25,26).
What are the key properties of 6-hydroxy-2-phenyl-3-(2-phenylethyl)-1-benzofuran-5-carboxylic acid?
6-hydroxy-2-phenyl-3-(2-phenylethyl)-1-benzofuran-5-carboxylic acid has a molecular weight of 358.39 g/mol, XLogP of 5.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-phenyl-3-(2-phenylethyl)-1-benzofuran-5-carboxylic acid is sourced from PubChem (CID 90244877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).