4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)-1-(4-phenylphenyl)ethyl]phenol

C26H19F3O2 — CID 164897791

IUPAC4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)-1-(4-phenylphenyl)ethyl]phenol
SMILESOc1ccc(C(c2ccc(O)cc2)(c2ccc(-c3ccccc3)cc2)C(F)(F)F)cc1
InChIInChI=1S/C26H19F3O2/c27-26(28,29)25(21-10-14-23(30)15-11-21,22-12-16-24(31)17-13-22)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-17,30-31H
InChIKeyWHWHLTAJNMBQAQ-UHFFFAOYSA-N
MW420.43 g/mol
LogP6.66
Rot. Bonds4

About 4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)-1-(4-phenylphenyl)ethyl]phenol

4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)-1-(4-phenylphenyl)ethyl]phenol (PubChem CID 164897791) has the molecular formula C26H19F3O2 and a molecular weight of 420.43 g/mol. Its IUPAC name is 4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)-1-(4-phenylphenyl)ethyl]phenol.

Molecular Properties

Compound Name4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)-1-(4-phenylphenyl)ethyl]phenol
PubChem CID164897791
Molecular FormulaC26H19F3O2
Molecular Weight420.43 g/mol
Exact Mass420.13
IUPAC Name4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)-1-(4-phenylphenyl)ethyl]phenol
SMILESOc1ccc(C(c2ccc(O)cc2)(c2ccc(-c3ccccc3)cc2)C(F)(F)F)cc1
InChIInChI=1S/C26H19F3O2/c27-26(28,29)25(21-10-14-23(30)15-11-21,22-12-16-24(31)17-13-22)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-17,30-31H
InChIKeyWHWHLTAJNMBQAQ-UHFFFAOYSA-N
XLogP6.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.43
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

benzene-1,4-diol;bis(1,1'-biphenyl)
CID 161250566
4-[difluoro(phenyl)methyl]phenol
CID 83855777
1-tert-butyl-4-[1-(4-tert-butylphenyl)-2,2,2-trifluoro-1-phenylethyl]benzene
CID 20557378
benzene;1,1'-biphenyl;phenol
CID 159528072
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929
2,6-dimethyl-4-[2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethylphenyl)-1-phenylethyl]phenol
CID 20520008
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018
4-[(1,2,3,4,5,6-13C6)cyclohexatrienyl-(4-hydroxyphenyl)-phenylmethyl]phenol
CID 171380903
1,1'-biphenyl;bis(4-diphenylphosphanylphenol)
CID 172747492
4-[2-(4-phenylphenyl)ethenyl]phenol
CID 73178657
1,1-difluoro-1-(4-phenylphenyl)propan-2-one
CID 71022279
4-[1,1,2,2-tetrafluoro-2-(4-hydroxyphenyl)ethyl]phenol
CID 11369659

Frequently Asked Questions

What is the IUPAC name of 4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)-1-(4-phenylphenyl)ethyl]phenol?
The IUPAC name of 4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)-1-(4-phenylphenyl)ethyl]phenol (CID 164897791) is 4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)-1-(4-phenylphenyl)ethyl]phenol.
What is the SMILES notation for 4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)-1-(4-phenylphenyl)ethyl]phenol?
The canonical SMILES for 4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)-1-(4-phenylphenyl)ethyl]phenol is Oc1ccc(C(c2ccc(O)cc2)(c2ccc(-c3ccccc3)cc2)C(F)(F)F)cc1.
What is the InChIKey of 4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)-1-(4-phenylphenyl)ethyl]phenol?
The InChIKey is WHWHLTAJNMBQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3O2/c27-26(28,29)25(21-10-14-23(30)15-11-21,22-12-16-24(31)17-13-22)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-17,30-31H.
What are the key properties of 4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)-1-(4-phenylphenyl)ethyl]phenol?
4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)-1-(4-phenylphenyl)ethyl]phenol has a molecular weight of 420.43 g/mol, XLogP of 6.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)-1-(4-phenylphenyl)ethyl]phenol is sourced from PubChem (CID 164897791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).