1,1-diphenyl-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-ol

C22H15F3O — CID 11523186

IUPAC1,1-diphenyl-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-ol
SMILESOC(C#Cc1ccc(C(F)(F)F)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H15F3O/c23-22(24,25)20-13-11-17(12-14-20)15-16-21(26,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,26H
InChIKeyORRLZXVEZWAJEC-UHFFFAOYSA-N
MW352.36 g/mol
LogP4.99
Rot. Bonds2

About 1,1-diphenyl-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-ol

1,1-diphenyl-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-ol (PubChem CID 11523186) has the molecular formula C22H15F3O and a molecular weight of 352.36 g/mol. Its IUPAC name is 1,1-diphenyl-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name1,1-diphenyl-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-ol
PubChem CID11523186
Molecular FormulaC22H15F3O
Molecular Weight352.36 g/mol
Exact Mass352.11
IUPAC Name1,1-diphenyl-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-ol
SMILESOC(C#Cc1ccc(C(F)(F)F)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H15F3O/c23-22(24,25)20-13-11-17(12-14-20)15-16-21(26,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,26H
InChIKeyORRLZXVEZWAJEC-UHFFFAOYSA-N
XLogP4.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-ol?
The IUPAC name of 1,1-diphenyl-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-ol (CID 11523186) is 1,1-diphenyl-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 1,1-diphenyl-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 1,1-diphenyl-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-ol is OC(C#Cc1ccc(C(F)(F)F)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenyl-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-ol?
The InChIKey is ORRLZXVEZWAJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3O/c23-22(24,25)20-13-11-17(12-14-20)15-16-21(26,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,26H.
What are the key properties of 1,1-diphenyl-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-ol?
1,1-diphenyl-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-ol has a molecular weight of 352.36 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-3-[4-(trifluoromethyl)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 11523186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).