About 2-ethenyl-4-[(3-ethenyl-4-hydroxyphenyl)-phenylmethyl]phenol
2-ethenyl-4-[(3-ethenyl-4-hydroxyphenyl)-phenylmethyl]phenol (PubChem CID 139760597) has the molecular formula C23H20O2
and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-ethenyl-4-[(3-ethenyl-4-hydroxyphenyl)-phenylmethyl]phenol.
Molecular Properties
| Compound Name | 2-ethenyl-4-[(3-ethenyl-4-hydroxyphenyl)-phenylmethyl]phenol |
| PubChem CID | 139760597 |
| Molecular Formula | C23H20O2 |
| Molecular Weight | 328.41 g/mol |
| Exact Mass | 328.15 |
| IUPAC Name | 2-ethenyl-4-[(3-ethenyl-4-hydroxyphenyl)-phenylmethyl]phenol |
| SMILES | C=Cc1cc(C(c2ccccc2)c2ccc(O)c(C=C)c2)ccc1O |
| InChI | InChI=1S/C23H20O2/c1-3-16-14-19(10-12-21(16)24)23(18-8-6-5-7-9-18)20-11-13-22(25)17(4-2)15-20/h3-15,23-25H,1-2H2 |
| InChIKey | BFPPBGPWEOZCEE-UHFFFAOYSA-N |
| XLogP | 5.56 |
| TPSA | 40.46 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 25 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 328.41 |
| LogP ≤ 5 | 5.56 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-ethenyl-4-[(3-ethenyl-4-hydroxyphenyl)-phenylmethyl]phenol?
The IUPAC name of 2-ethenyl-4-[(3-ethenyl-4-hydroxyphenyl)-phenylmethyl]phenol (CID 139760597) is 2-ethenyl-4-[(3-ethenyl-4-hydroxyphenyl)-phenylmethyl]phenol.
What is the SMILES notation for 2-ethenyl-4-[(3-ethenyl-4-hydroxyphenyl)-phenylmethyl]phenol?
The canonical SMILES for 2-ethenyl-4-[(3-ethenyl-4-hydroxyphenyl)-phenylmethyl]phenol is C=Cc1cc(C(c2ccccc2)c2ccc(O)c(C=C)c2)ccc1O.
What is the InChIKey of 2-ethenyl-4-[(3-ethenyl-4-hydroxyphenyl)-phenylmethyl]phenol?
The InChIKey is BFPPBGPWEOZCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O2/c1-3-16-14-19(10-12-21(16)24)23(18-8-6-5-7-9-18)20-11-13-22(25)17(4-2)15-20/h3-15,23-25H,1-2H2.
What are the key properties of 2-ethenyl-4-[(3-ethenyl-4-hydroxyphenyl)-phenylmethyl]phenol?
2-ethenyl-4-[(3-ethenyl-4-hydroxyphenyl)-phenylmethyl]phenol has a molecular weight of 328.41 g/mol, XLogP of 5.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-[(3-ethenyl-4-hydroxyphenyl)-phenylmethyl]phenol is sourced from PubChem (CID 139760597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).