5-(2-methylphenyl)-2-[2,2,2-trifluoro-1-[2-hydroxy-4-(2-methylphenyl)phenyl]-1-phenylethyl]phenol

C34H27F3O2 — CID 139903529

IUPAC5-(2-methylphenyl)-2-[2,2,2-trifluoro-1-[2-hydroxy-4-(2-methylphenyl)phenyl]-1-phenylethyl]phenol
SMILESCc1ccccc1-c1ccc(C(c2ccccc2)(c2ccc(-c3ccccc3C)cc2O)C(F)(F)F)c(O)c1
InChIInChI=1S/C34H27F3O2/c1-22-10-6-8-14-27(22)24-16-18-29(31(38)20-24)33(34(35,36)37,26-12-4-3-5-13-26)30-19-17-25(21-32(30)39)28-15-9-7-11-23(28)2/h3-21,38-39H,1-2H3
InChIKeyTZOXVCLWOUKSHK-UHFFFAOYSA-N
MW524.58 g/mol
LogP8.95
Rot. Bonds5

About 5-(2-methylphenyl)-2-[2,2,2-trifluoro-1-[2-hydroxy-4-(2-methylphenyl)phenyl]-1-phenylethyl]phenol

5-(2-methylphenyl)-2-[2,2,2-trifluoro-1-[2-hydroxy-4-(2-methylphenyl)phenyl]-1-phenylethyl]phenol (PubChem CID 139903529) has the molecular formula C34H27F3O2 and a molecular weight of 524.58 g/mol. Its IUPAC name is 5-(2-methylphenyl)-2-[2,2,2-trifluoro-1-[2-hydroxy-4-(2-methylphenyl)phenyl]-1-phenylethyl]phenol.

Molecular Properties

Compound Name5-(2-methylphenyl)-2-[2,2,2-trifluoro-1-[2-hydroxy-4-(2-methylphenyl)phenyl]-1-phenylethyl]phenol
PubChem CID139903529
Molecular FormulaC34H27F3O2
Molecular Weight524.58 g/mol
Exact Mass524.20
IUPAC Name5-(2-methylphenyl)-2-[2,2,2-trifluoro-1-[2-hydroxy-4-(2-methylphenyl)phenyl]-1-phenylethyl]phenol
SMILESCc1ccccc1-c1ccc(C(c2ccccc2)(c2ccc(-c3ccccc3C)cc2O)C(F)(F)F)c(O)c1
InChIInChI=1S/C34H27F3O2/c1-22-10-6-8-14-27(22)24-16-18-29(31(38)20-24)33(34(35,36)37,26-12-4-3-5-13-26)30-19-17-25(21-32(30)39)28-15-9-7-11-23(28)2/h3-21,38-39H,1-2H3
InChIKeyTZOXVCLWOUKSHK-UHFFFAOYSA-N
XLogP8.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.58
LogP ≤ 58.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(2-methylphenyl)-2-[2,2,2-trifluoro-1-[2-hydroxy-4-(2-methylphenyl)phenyl]-1-phenylethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-2-[2,2,2-trifluoro-1-[2-hydroxy-4-(2-methylphenyl)phenyl]-1-phenylethyl]phenol?
The IUPAC name of 5-(2-methylphenyl)-2-[2,2,2-trifluoro-1-[2-hydroxy-4-(2-methylphenyl)phenyl]-1-phenylethyl]phenol (CID 139903529) is 5-(2-methylphenyl)-2-[2,2,2-trifluoro-1-[2-hydroxy-4-(2-methylphenyl)phenyl]-1-phenylethyl]phenol.
What is the SMILES notation for 5-(2-methylphenyl)-2-[2,2,2-trifluoro-1-[2-hydroxy-4-(2-methylphenyl)phenyl]-1-phenylethyl]phenol?
The canonical SMILES for 5-(2-methylphenyl)-2-[2,2,2-trifluoro-1-[2-hydroxy-4-(2-methylphenyl)phenyl]-1-phenylethyl]phenol is Cc1ccccc1-c1ccc(C(c2ccccc2)(c2ccc(-c3ccccc3C)cc2O)C(F)(F)F)c(O)c1.
What is the InChIKey of 5-(2-methylphenyl)-2-[2,2,2-trifluoro-1-[2-hydroxy-4-(2-methylphenyl)phenyl]-1-phenylethyl]phenol?
The InChIKey is TZOXVCLWOUKSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27F3O2/c1-22-10-6-8-14-27(22)24-16-18-29(31(38)20-24)33(34(35,36)37,26-12-4-3-5-13-26)30-19-17-25(21-32(30)39)28-15-9-7-11-23(28)2/h3-21,38-39H,1-2H3.
What are the key properties of 5-(2-methylphenyl)-2-[2,2,2-trifluoro-1-[2-hydroxy-4-(2-methylphenyl)phenyl]-1-phenylethyl]phenol?
5-(2-methylphenyl)-2-[2,2,2-trifluoro-1-[2-hydroxy-4-(2-methylphenyl)phenyl]-1-phenylethyl]phenol has a molecular weight of 524.58 g/mol, XLogP of 8.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-2-[2,2,2-trifluoro-1-[2-hydroxy-4-(2-methylphenyl)phenyl]-1-phenylethyl]phenol is sourced from PubChem (CID 139903529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).