4-[7-[2-(trifluoromethyl)phenyl]quinolin-4-yl]phenol

C22H14F3NO — CID 174480072

IUPAC4-[7-[2-(trifluoromethyl)phenyl]quinolin-4-yl]phenol
SMILESOc1ccc(-c2ccnc3cc(-c4ccccc4C(F)(F)F)ccc23)cc1
InChIInChI=1S/C22H14F3NO/c23-22(24,25)20-4-2-1-3-18(20)15-7-10-19-17(11-12-26-21(19)13-15)14-5-8-16(27)9-6-14/h1-13,27H
InChIKeyCFGRPSOAENPNPZ-UHFFFAOYSA-N
MW365.35 g/mol
LogP6.29
Rot. Bonds2

About 4-[7-[2-(trifluoromethyl)phenyl]quinolin-4-yl]phenol

4-[7-[2-(trifluoromethyl)phenyl]quinolin-4-yl]phenol (PubChem CID 174480072) has the molecular formula C22H14F3NO and a molecular weight of 365.35 g/mol. Its IUPAC name is 4-[7-[2-(trifluoromethyl)phenyl]quinolin-4-yl]phenol.

Molecular Properties

Compound Name4-[7-[2-(trifluoromethyl)phenyl]quinolin-4-yl]phenol
PubChem CID174480072
Molecular FormulaC22H14F3NO
Molecular Weight365.35 g/mol
Exact Mass365.10
IUPAC Name4-[7-[2-(trifluoromethyl)phenyl]quinolin-4-yl]phenol
SMILESOc1ccc(-c2ccnc3cc(-c4ccccc4C(F)(F)F)ccc23)cc1
InChIInChI=1S/C22H14F3NO/c23-22(24,25)20-4-2-1-3-18(20)15-7-10-19-17(11-12-26-21(19)13-15)14-5-8-16(27)9-6-14/h1-13,27H
InChIKeyCFGRPSOAENPNPZ-UHFFFAOYSA-N
XLogP6.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.35
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[7-[2-(trifluoromethyl)phenyl]quinolin-4-yl]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 4-[7-[2-(trifluoromethyl)phenyl]quinolin-4-yl]phenol?
The IUPAC name of 4-[7-[2-(trifluoromethyl)phenyl]quinolin-4-yl]phenol (CID 174480072) is 4-[7-[2-(trifluoromethyl)phenyl]quinolin-4-yl]phenol.
What is the SMILES notation for 4-[7-[2-(trifluoromethyl)phenyl]quinolin-4-yl]phenol?
The canonical SMILES for 4-[7-[2-(trifluoromethyl)phenyl]quinolin-4-yl]phenol is Oc1ccc(-c2ccnc3cc(-c4ccccc4C(F)(F)F)ccc23)cc1.
What is the InChIKey of 4-[7-[2-(trifluoromethyl)phenyl]quinolin-4-yl]phenol?
The InChIKey is CFGRPSOAENPNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3NO/c23-22(24,25)20-4-2-1-3-18(20)15-7-10-19-17(11-12-26-21(19)13-15)14-5-8-16(27)9-6-14/h1-13,27H.
What are the key properties of 4-[7-[2-(trifluoromethyl)phenyl]quinolin-4-yl]phenol?
4-[7-[2-(trifluoromethyl)phenyl]quinolin-4-yl]phenol has a molecular weight of 365.35 g/mol, XLogP of 6.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[2-(trifluoromethyl)phenyl]quinolin-4-yl]phenol is sourced from PubChem (CID 174480072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).