4-[3-amino-2-phenyl-5-(trifluoromethyl)phenyl]phenol

C19H14F3NO — CID 174485534

IUPAC4-[3-amino-2-phenyl-5-(trifluoromethyl)phenyl]phenol
SMILESNc1cc(C(F)(F)F)cc(-c2ccc(O)cc2)c1-c1ccccc1
InChIInChI=1S/C19H14F3NO/c20-19(21,22)14-10-16(12-6-8-15(24)9-7-12)18(17(23)11-14)13-4-2-1-3-5-13/h1-11,24H,23H2
InChIKeyWSZPSTCPUMJTHV-UHFFFAOYSA-N
MW329.32 g/mol
LogP5.33
Rot. Bonds2

About 4-[3-amino-2-phenyl-5-(trifluoromethyl)phenyl]phenol

4-[3-amino-2-phenyl-5-(trifluoromethyl)phenyl]phenol (PubChem CID 174485534) has the molecular formula C19H14F3NO and a molecular weight of 329.32 g/mol. Its IUPAC name is 4-[3-amino-2-phenyl-5-(trifluoromethyl)phenyl]phenol.

Molecular Properties

Compound Name4-[3-amino-2-phenyl-5-(trifluoromethyl)phenyl]phenol
PubChem CID174485534
Molecular FormulaC19H14F3NO
Molecular Weight329.32 g/mol
Exact Mass329.10
IUPAC Name4-[3-amino-2-phenyl-5-(trifluoromethyl)phenyl]phenol
SMILESNc1cc(C(F)(F)F)cc(-c2ccc(O)cc2)c1-c1ccccc1
InChIInChI=1S/C19H14F3NO/c20-19(21,22)14-10-16(12-6-8-15(24)9-7-12)18(17(23)11-14)13-4-2-1-3-5-13/h1-11,24H,23H2
InChIKeyWSZPSTCPUMJTHV-UHFFFAOYSA-N
XLogP5.33
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.32
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[3-amino-2-phenyl-5-(trifluoromethyl)phenyl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

4-[3-[3-(4-hydroxyphenyl)-2,4,5-triphenylphenyl]-2,5,6-triphenylphenyl]phenol
CID 135173030
2-(4-fluorophenyl)-N'-hydroxy-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzenecarboximidamide
CID 71492929
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929
5-(trifluoromethyl)-1,3-bis[2-(trifluoromethyl)phenyl]-2-[4-[2-(trifluoromethyl)phenyl]phenyl]benzene
CID 176828118
[2-amino-4-(4-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-(4-methylphenyl)methanone
CID 10459372
[2-amino-6-(4-methylphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone
CID 10006428
2-methoxy-1,3-diphenyl-5-(trifluoromethyl)benzene
CID 146622594
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-phenylphenol
CID 19824837
N'-hydroxy-3-(4-hydroxyphenyl)-2-iodo-5-(trifluoromethyl)benzenecarboximidamide
CID 154079256
1-fluoro-2-phenyl-4-(trifluoromethyl)benzene
CID 46314964
4-[6-(4-hydroxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]phenol
CID 136862136
4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)-1-(4-phenylphenyl)ethyl]phenol
CID 164897791

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-2-phenyl-5-(trifluoromethyl)phenyl]phenol?
The IUPAC name of 4-[3-amino-2-phenyl-5-(trifluoromethyl)phenyl]phenol (CID 174485534) is 4-[3-amino-2-phenyl-5-(trifluoromethyl)phenyl]phenol.
What is the SMILES notation for 4-[3-amino-2-phenyl-5-(trifluoromethyl)phenyl]phenol?
The canonical SMILES for 4-[3-amino-2-phenyl-5-(trifluoromethyl)phenyl]phenol is Nc1cc(C(F)(F)F)cc(-c2ccc(O)cc2)c1-c1ccccc1.
What is the InChIKey of 4-[3-amino-2-phenyl-5-(trifluoromethyl)phenyl]phenol?
The InChIKey is WSZPSTCPUMJTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO/c20-19(21,22)14-10-16(12-6-8-15(24)9-7-12)18(17(23)11-14)13-4-2-1-3-5-13/h1-11,24H,23H2.
What are the key properties of 4-[3-amino-2-phenyl-5-(trifluoromethyl)phenyl]phenol?
4-[3-amino-2-phenyl-5-(trifluoromethyl)phenyl]phenol has a molecular weight of 329.32 g/mol, XLogP of 5.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-2-phenyl-5-(trifluoromethyl)phenyl]phenol is sourced from PubChem (CID 174485534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).