3-ethenyl-2,4,6-triphenylphenol

C26H20O — CID 174543439

IUPAC3-ethenyl-2,4,6-triphenylphenol
SMILESC=Cc1c(-c2ccccc2)cc(-c2ccccc2)c(O)c1-c1ccccc1
InChIInChI=1S/C26H20O/c1-2-22-23(19-12-6-3-7-13-19)18-24(20-14-8-4-9-15-20)26(27)25(22)21-16-10-5-11-17-21/h2-18,27H,1H2
InChIKeyASFCQLNVBFMPAR-UHFFFAOYSA-N
MW348.45 g/mol
LogP7.04
Rot. Bonds4

About 3-ethenyl-2,4,6-triphenylphenol

3-ethenyl-2,4,6-triphenylphenol (PubChem CID 174543439) has the molecular formula C26H20O and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-ethenyl-2,4,6-triphenylphenol.

Molecular Properties

Compound Name3-ethenyl-2,4,6-triphenylphenol
PubChem CID174543439
Molecular FormulaC26H20O
Molecular Weight348.45 g/mol
Exact Mass348.15
IUPAC Name3-ethenyl-2,4,6-triphenylphenol
SMILESC=Cc1c(-c2ccccc2)cc(-c2ccccc2)c(O)c1-c1ccccc1
InChIInChI=1S/C26H20O/c1-2-22-23(19-12-6-3-7-13-19)18-24(20-14-8-4-9-15-20)26(27)25(22)21-16-10-5-11-17-21/h2-18,27H,1H2
InChIKeyASFCQLNVBFMPAR-UHFFFAOYSA-N
XLogP7.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2,4,6-triphenylphenol?
The IUPAC name of 3-ethenyl-2,4,6-triphenylphenol (CID 174543439) is 3-ethenyl-2,4,6-triphenylphenol.
What is the SMILES notation for 3-ethenyl-2,4,6-triphenylphenol?
The canonical SMILES for 3-ethenyl-2,4,6-triphenylphenol is C=Cc1c(-c2ccccc2)cc(-c2ccccc2)c(O)c1-c1ccccc1.
What is the InChIKey of 3-ethenyl-2,4,6-triphenylphenol?
The InChIKey is ASFCQLNVBFMPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O/c1-2-22-23(19-12-6-3-7-13-19)18-24(20-14-8-4-9-15-20)26(27)25(22)21-16-10-5-11-17-21/h2-18,27H,1H2.
What are the key properties of 3-ethenyl-2,4,6-triphenylphenol?
3-ethenyl-2,4,6-triphenylphenol has a molecular weight of 348.45 g/mol, XLogP of 7.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2,4,6-triphenylphenol is sourced from PubChem (CID 174543439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).