7-methyl-2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-ol

C23H16O2 — CID 132942174

IUPAC7-methyl-2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-ol
SMILESCc1cc(O)cc2c(C#Cc3ccccc3)c(-c3ccccc3)oc12
InChIInChI=1S/C23H16O2/c1-16-14-19(24)15-21-20(13-12-17-8-4-2-5-9-17)23(25-22(16)21)18-10-6-3-7-11-18/h2-11,14-15,24H,1H3
InChIKeyWVXFLWBQGKDBCY-UHFFFAOYSA-N
MW324.38 g/mol
LogP5.51
Rot. Bonds1

About 7-methyl-2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-ol

7-methyl-2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-ol (PubChem CID 132942174) has the molecular formula C23H16O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 7-methyl-2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-ol.

Molecular Properties

Compound Name7-methyl-2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-ol
PubChem CID132942174
Molecular FormulaC23H16O2
Molecular Weight324.38 g/mol
Exact Mass324.12
IUPAC Name7-methyl-2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-ol
SMILESCc1cc(O)cc2c(C#Cc3ccccc3)c(-c3ccccc3)oc12
InChIInChI=1S/C23H16O2/c1-16-14-19(24)15-21-20(13-12-17-8-4-2-5-9-17)23(25-22(16)21)18-10-6-3-7-11-18/h2-11,14-15,24H,1H3
InChIKeyWVXFLWBQGKDBCY-UHFFFAOYSA-N
XLogP5.51
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

7-bromo-2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-carbonitrile
CID 162412255
6-hydroxy-3-methyl-4-oxo-2-phenylchromene-8-carboxylic acid
CID 19972429
2,6-dimethyl-1,5-bis(2-phenylethynyl)naphthalene
CID 169050462
1,4-dimethyl-2,3,5,6-tetrakis(2-phenylethynyl)benzene
CID 21461448
1,3,5-tris[2-(2,6-dimethylphenyl)ethynyl]-2,4,6-tris(2-phenylethynyl)benzene
CID 101246235
2-phenyl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]-1-benzofuran
CID 138393025
6-hydroxy-2-[4-(2-oxopropoxy)phenyl]-3-(2-phenylethynyl)-1-benzofuran-5-carboxylic acid
CID 90244874
2-methyl-4-(2-phenylethynyl)phenol
CID 59263622
3-[2-(3,5-difluorophenyl)ethynyl]-6-hydroxy-2-phenyl-1-benzofuran-5-carboxylic acid
CID 70981726
2-(2-phenylethynyl)azulene
CID 139039957
3-[3-[4,5-diphenyl-2-[4-(2-phenylethynyl)phenyl]furan-3-yl]-5-ethynylphenyl]-4-phenyl-2,5-bis[4-(2-phenylethynyl)phenyl]furan
CID 89124981
1,2-dimethyl-4-[2-(4-phenylphenyl)ethynyl]benzene
CID 143505044

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-ol?
The IUPAC name of 7-methyl-2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-ol (CID 132942174) is 7-methyl-2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-ol.
What is the SMILES notation for 7-methyl-2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-ol?
The canonical SMILES for 7-methyl-2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-ol is Cc1cc(O)cc2c(C#Cc3ccccc3)c(-c3ccccc3)oc12.
What is the InChIKey of 7-methyl-2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-ol?
The InChIKey is WVXFLWBQGKDBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O2/c1-16-14-19(24)15-21-20(13-12-17-8-4-2-5-9-17)23(25-22(16)21)18-10-6-3-7-11-18/h2-11,14-15,24H,1H3.
What are the key properties of 7-methyl-2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-ol?
7-methyl-2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-ol has a molecular weight of 324.38 g/mol, XLogP of 5.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-ol is sourced from PubChem (CID 132942174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).