2,6-dimethyl-4-[2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethylphenyl)-1-phenylethyl]phenol

C24H23F3O2 — CID 20520008

IUPAC2,6-dimethyl-4-[2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethylphenyl)-1-phenylethyl]phenol
SMILESCc1cc(C(c2ccccc2)(c2cc(C)c(O)c(C)c2)C(F)(F)F)cc(C)c1O
InChIInChI=1S/C24H23F3O2/c1-14-10-19(11-15(2)21(14)28)23(24(25,26)27,18-8-6-5-7-9-18)20-12-16(3)22(29)17(4)13-20/h5-13,28-29H,1-4H3
InChIKeyBOOSLOPWNRWEIQ-UHFFFAOYSA-N
MW400.44 g/mol
LogP6.23
Rot. Bonds3

About 2,6-dimethyl-4-[2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethylphenyl)-1-phenylethyl]phenol

2,6-dimethyl-4-[2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethylphenyl)-1-phenylethyl]phenol (PubChem CID 20520008) has the molecular formula C24H23F3O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethylphenyl)-1-phenylethyl]phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-[2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethylphenyl)-1-phenylethyl]phenol
PubChem CID20520008
Molecular FormulaC24H23F3O2
Molecular Weight400.44 g/mol
Exact Mass400.17
IUPAC Name2,6-dimethyl-4-[2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethylphenyl)-1-phenylethyl]phenol
SMILESCc1cc(C(c2ccccc2)(c2cc(C)c(O)c(C)c2)C(F)(F)F)cc(C)c1O
InChIInChI=1S/C24H23F3O2/c1-14-10-19(11-15(2)21(14)28)23(24(25,26)27,18-8-6-5-7-9-18)20-12-16(3)22(29)17(4)13-20/h5-13,28-29H,1-4H3
InChIKeyBOOSLOPWNRWEIQ-UHFFFAOYSA-N
XLogP6.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.44
LogP ≤ 56.23
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

4-[1-(3-ethyl-4-hydroxy-5-methylphenyl)-2,2,2-trifluoro-1-phenylethyl]-2,6-dimethylphenol
CID 155931325
2,6-dimethyl-4-[2,2,2-trifluoro-1-(2-fluorophenyl)-1-(4-hydroxy-3,5-dimethylphenyl)ethyl]phenol
CID 141280723
1-tert-butyl-4-[1-(4-tert-butylphenyl)-2,2,2-trifluoro-1-phenylethyl]benzene
CID 20557378
4-(1-diphenylphosphoryl-2,2,2-trifluoro-1-phenylethyl)-2,6-dimethylphenol
CID 177441543
5-(2-methylphenyl)-2-[2,2,2-trifluoro-1-[2-hydroxy-4-(2-methylphenyl)phenyl]-1-phenylethyl]phenol
CID 139903529
[2,6-dimethyl-4-[2,2,2-trifluoro-1-[4-(4-fluorophenyl)sulfonyloxy-3,5-dimethylphenyl]-1-phenylethyl]phenyl] 4-fluorobenzenesulfonate
CID 161011073
2,6-dimethyl-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)phenol
CID 87143094
4-[3,5-bis(4-hydroxy-3,5-dimethylphenyl)-3-phenylpentyl]-2,6-dimethylphenol
CID 58676222
4-(2-bromo-1,1,2,2-tetrafluoroethyl)-2,6-dimethylphenol
CID 121234611
2,6-dimethyl-4-(4-phenylphenyl)phenol
CID 22900078
4-[1-(4-hydroxy-3,5-dimethylphenyl)-1-(2-methylphenyl)ethyl]-2,6-dimethylphenol
CID 21020630
(4-hydroxy-3,5-dimethylphenyl)-diphenylsulfanium chloride
CID 172691925

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethylphenyl)-1-phenylethyl]phenol?
The IUPAC name of 2,6-dimethyl-4-[2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethylphenyl)-1-phenylethyl]phenol (CID 20520008) is 2,6-dimethyl-4-[2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethylphenyl)-1-phenylethyl]phenol.
What is the SMILES notation for 2,6-dimethyl-4-[2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethylphenyl)-1-phenylethyl]phenol?
The canonical SMILES for 2,6-dimethyl-4-[2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethylphenyl)-1-phenylethyl]phenol is Cc1cc(C(c2ccccc2)(c2cc(C)c(O)c(C)c2)C(F)(F)F)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-[2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethylphenyl)-1-phenylethyl]phenol?
The InChIKey is BOOSLOPWNRWEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3O2/c1-14-10-19(11-15(2)21(14)28)23(24(25,26)27,18-8-6-5-7-9-18)20-12-16(3)22(29)17(4)13-20/h5-13,28-29H,1-4H3.
What are the key properties of 2,6-dimethyl-4-[2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethylphenyl)-1-phenylethyl]phenol?
2,6-dimethyl-4-[2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethylphenyl)-1-phenylethyl]phenol has a molecular weight of 400.44 g/mol, XLogP of 6.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2,2,2-trifluoro-1-(4-hydroxy-3,5-dimethylphenyl)-1-phenylethyl]phenol is sourced from PubChem (CID 20520008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).