[4-[2-(4-methylphenyl)ethynyl]-2-(trifluoromethyl)phenyl]methanol

C17H13F3O — CID 16641046

IUPAC[4-[2-(4-methylphenyl)ethynyl]-2-(trifluoromethyl)phenyl]methanol
SMILESCc1ccc(C#Cc2ccc(CO)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H13F3O/c1-12-2-4-13(5-3-12)6-7-14-8-9-15(11-21)16(10-14)17(18,19)20/h2-5,8-10,21H,11H2,1H3
InChIKeySYPUQQUPQWAKIX-UHFFFAOYSA-N
MW290.28 g/mol
LogP3.91
Rot. Bonds1

About [4-[2-(4-methylphenyl)ethynyl]-2-(trifluoromethyl)phenyl]methanol

[4-[2-(4-methylphenyl)ethynyl]-2-(trifluoromethyl)phenyl]methanol (PubChem CID 16641046) has the molecular formula C17H13F3O and a molecular weight of 290.28 g/mol. Its IUPAC name is [4-[2-(4-methylphenyl)ethynyl]-2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-[2-(4-methylphenyl)ethynyl]-2-(trifluoromethyl)phenyl]methanol
PubChem CID16641046
Molecular FormulaC17H13F3O
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name[4-[2-(4-methylphenyl)ethynyl]-2-(trifluoromethyl)phenyl]methanol
SMILESCc1ccc(C#Cc2ccc(CO)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H13F3O/c1-12-2-4-13(5-3-12)6-7-14-8-9-15(11-21)16(10-14)17(18,19)20/h2-5,8-10,21H,11H2,1H3
InChIKeySYPUQQUPQWAKIX-UHFFFAOYSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [4-[2-(4-methylphenyl)ethynyl]-2-(trifluoromethyl)phenyl]methanol 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 [4-[2-(4-methylphenyl)ethynyl]-2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [4-[2-(4-methylphenyl)ethynyl]-2-(trifluoromethyl)phenyl]methanol (CID 16641046) is [4-[2-(4-methylphenyl)ethynyl]-2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-[2-(4-methylphenyl)ethynyl]-2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [4-[2-(4-methylphenyl)ethynyl]-2-(trifluoromethyl)phenyl]methanol is Cc1ccc(C#Cc2ccc(CO)c(C(F)(F)F)c2)cc1.
What is the InChIKey of [4-[2-(4-methylphenyl)ethynyl]-2-(trifluoromethyl)phenyl]methanol?
The InChIKey is SYPUQQUPQWAKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3O/c1-12-2-4-13(5-3-12)6-7-14-8-9-15(11-21)16(10-14)17(18,19)20/h2-5,8-10,21H,11H2,1H3.
What are the key properties of [4-[2-(4-methylphenyl)ethynyl]-2-(trifluoromethyl)phenyl]methanol?
[4-[2-(4-methylphenyl)ethynyl]-2-(trifluoromethyl)phenyl]methanol has a molecular weight of 290.28 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methylphenyl)ethynyl]-2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 16641046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).