2,6-dimethyl-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]phenol

C17H15F3O — CID 14771913

IUPAC2,6-dimethyl-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]phenol
SMILESCc1cc(/C=C/c2ccccc2C(F)(F)F)cc(C)c1O
InChIInChI=1S/C17H15F3O/c1-11-9-13(10-12(2)16(11)21)7-8-14-5-3-4-6-15(14)17(18,19)20/h3-10,21H,1-2H3/b8-7+
InChIKeyRABHBNBDWDQZMN-BQYQJAHWSA-N
MW292.30 g/mol
LogP5.20
Rot. Bonds2

About 2,6-dimethyl-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]phenol

2,6-dimethyl-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]phenol (PubChem CID 14771913) has the molecular formula C17H15F3O and a molecular weight of 292.30 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]phenol
PubChem CID14771913
Molecular FormulaC17H15F3O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name2,6-dimethyl-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]phenol
SMILESCc1cc(/C=C/c2ccccc2C(F)(F)F)cc(C)c1O
InChIInChI=1S/C17H15F3O/c1-11-9-13(10-12(2)16(11)21)7-8-14-5-3-4-6-15(14)17(18,19)20/h3-10,21H,1-2H3/b8-7+
InChIKeyRABHBNBDWDQZMN-BQYQJAHWSA-N
XLogP5.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.30
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]phenol (CID 14771913) is 2,6-dimethyl-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]phenol is Cc1cc(/C=C/c2ccccc2C(F)(F)F)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]phenol?
The InChIKey is RABHBNBDWDQZMN-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H15F3O/c1-11-9-13(10-12(2)16(11)21)7-8-14-5-3-4-6-15(14)17(18,19)20/h3-10,21H,1-2H3/b8-7+.
What are the key properties of 2,6-dimethyl-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]phenol?
2,6-dimethyl-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]phenol has a molecular weight of 292.30 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]phenol is sourced from PubChem (CID 14771913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).