1-[4-hydroxy-5-methyl-7-(4-phenylphenyl)-1-benzofuran-6-yl]ethanone

C23H18O3 — CID 134848098

IUPAC1-[4-hydroxy-5-methyl-7-(4-phenylphenyl)-1-benzofuran-6-yl]ethanone
SMILESCC(=O)c1c(C)c(O)c2ccoc2c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H18O3/c1-14-20(15(2)24)21(23-19(22(14)25)12-13-26-23)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-13,25H,1-2H3
InChIKeyNKSNGFMCIAMSDV-UHFFFAOYSA-N
MW342.39 g/mol
LogP5.98
Rot. Bonds3

About 1-[4-hydroxy-5-methyl-7-(4-phenylphenyl)-1-benzofuran-6-yl]ethanone

1-[4-hydroxy-5-methyl-7-(4-phenylphenyl)-1-benzofuran-6-yl]ethanone (PubChem CID 134848098) has the molecular formula C23H18O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is 1-[4-hydroxy-5-methyl-7-(4-phenylphenyl)-1-benzofuran-6-yl]ethanone.

Molecular Properties

Compound Name1-[4-hydroxy-5-methyl-7-(4-phenylphenyl)-1-benzofuran-6-yl]ethanone
PubChem CID134848098
Molecular FormulaC23H18O3
Molecular Weight342.39 g/mol
Exact Mass342.13
IUPAC Name1-[4-hydroxy-5-methyl-7-(4-phenylphenyl)-1-benzofuran-6-yl]ethanone
SMILESCC(=O)c1c(C)c(O)c2ccoc2c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H18O3/c1-14-20(15(2)24)21(23-19(22(14)25)12-13-26-23)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-13,25H,1-2H3
InChIKeyNKSNGFMCIAMSDV-UHFFFAOYSA-N
XLogP5.98
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.39
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4-hydroxy-5,6-dimethyl-1-benzofuran-7-carboxylate
CID 176829212
ethyl 6-oxo-8-(4-phenylphenyl)cyclohepta[b]furan-7-carboxylate
CID 122393893
7-benzoyl-8-phenylcyclohepta[b]furan-6-one
CID 122393884
1-(2-methyl-4-phenylquinolin-1-ium-3-yl)ethanone chloride
CID 139079399
4,8-dimethylfuro[2,3-f][1]benzofuran
CID 130182469
1-[7-methoxy-4-methyl-6-(3-phenylpropoxy)-1-benzofuran-5-yl]ethanone
CID 24995450
1-(4-acetyl-2,3-dihydroxynaphthalen-1-yl)ethanone
CID 57373259
1-(3-benzyl-5-ethyl-2-methyl-6-phenylphenyl)ethanone
CID 101402075
3-acetyl-4-phenylchromen-2-one
CID 56965161
1,1'-biphenyl;palladium(2+);diacetate
CID 173036521
acetic acid;1,1'-biphenyl;ethane
CID 91464981
acetic acid;1,1'-biphenyl;zinc
CID 70522083

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-5-methyl-7-(4-phenylphenyl)-1-benzofuran-6-yl]ethanone?
The IUPAC name of 1-[4-hydroxy-5-methyl-7-(4-phenylphenyl)-1-benzofuran-6-yl]ethanone (CID 134848098) is 1-[4-hydroxy-5-methyl-7-(4-phenylphenyl)-1-benzofuran-6-yl]ethanone.
What is the SMILES notation for 1-[4-hydroxy-5-methyl-7-(4-phenylphenyl)-1-benzofuran-6-yl]ethanone?
The canonical SMILES for 1-[4-hydroxy-5-methyl-7-(4-phenylphenyl)-1-benzofuran-6-yl]ethanone is CC(=O)c1c(C)c(O)c2ccoc2c1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[4-hydroxy-5-methyl-7-(4-phenylphenyl)-1-benzofuran-6-yl]ethanone?
The InChIKey is NKSNGFMCIAMSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O3/c1-14-20(15(2)24)21(23-19(22(14)25)12-13-26-23)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-13,25H,1-2H3.
What are the key properties of 1-[4-hydroxy-5-methyl-7-(4-phenylphenyl)-1-benzofuran-6-yl]ethanone?
1-[4-hydroxy-5-methyl-7-(4-phenylphenyl)-1-benzofuran-6-yl]ethanone has a molecular weight of 342.39 g/mol, XLogP of 5.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-5-methyl-7-(4-phenylphenyl)-1-benzofuran-6-yl]ethanone is sourced from PubChem (CID 134848098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).