4-hydroxy-1-[4-[2-(trifluoromethyl)phenyl]phenyl]pentan-3-one

C18H17F3O2 — CID 67555749

IUPAC4-hydroxy-1-[4-[2-(trifluoromethyl)phenyl]phenyl]pentan-3-one
SMILESCC(O)C(=O)CCc1ccc(-c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C18H17F3O2/c1-12(22)17(23)11-8-13-6-9-14(10-7-13)15-4-2-3-5-16(15)18(19,20)21/h2-7,9-10,12,22H,8,11H2,1H3
InChIKeyTUWDOZMKVROAGL-UHFFFAOYSA-N
MW322.33 g/mol
LogP4.25
Rot. Bonds5

About 4-hydroxy-1-[4-[2-(trifluoromethyl)phenyl]phenyl]pentan-3-one

4-hydroxy-1-[4-[2-(trifluoromethyl)phenyl]phenyl]pentan-3-one (PubChem CID 67555749) has the molecular formula C18H17F3O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 4-hydroxy-1-[4-[2-(trifluoromethyl)phenyl]phenyl]pentan-3-one.

Molecular Properties

Compound Name4-hydroxy-1-[4-[2-(trifluoromethyl)phenyl]phenyl]pentan-3-one
PubChem CID67555749
Molecular FormulaC18H17F3O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Name4-hydroxy-1-[4-[2-(trifluoromethyl)phenyl]phenyl]pentan-3-one
SMILESCC(O)C(=O)CCc1ccc(-c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C18H17F3O2/c1-12(22)17(23)11-8-13-6-9-14(10-7-13)15-4-2-3-5-16(15)18(19,20)21/h2-7,9-10,12,22H,8,11H2,1H3
InChIKeyTUWDOZMKVROAGL-UHFFFAOYSA-N
XLogP4.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-hydroxy-1-[4-[2-(trifluoromethyl)phenyl]phenyl]pentan-3-one 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

2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 82039542
ethyl 2-amino-3-[4-[2-(trifluoromethyl)phenyl]phenyl]propanoate
CID 170885356
methyl 2-amino-3-[4-[2-(trifluoromethyl)phenyl]phenyl]propanoate
CID 170883863
4-hydroxy-1-(4-hydroxyphenyl)pentan-3-one
CID 66769730
4-[3-[2-(trifluoromethyl)phenyl]phenyl]butan-2-one
CID 82540770
methanesulfonic acid;2-[[4-[2-(trifluoromethyl)phenyl]phenyl]methylamino]propanamide
CID 175034702
N-methyl-1-[4-[2-(trifluoromethyl)phenyl]phenyl]methanamine
CID 58609638
[6-[2-(trifluoromethyl)phenyl]naphthalen-2-yl]methanol
CID 172868767
(1R)-1-N,2-N-dimethyl-1-N,2-N-bis[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 142837090
methyl 2-hydroxy-2-methyl-3-[methyl-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]amino]propanoate
CID 10407465
1-[2-methyl-3-(trifluoromethyl)phenyl]-3-phenylpropan-1-one
CID 146009091
[4-[2-(trifluoromethyl)phenyl]phenyl] N-methylcarbamate
CID 91138505

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[4-[2-(trifluoromethyl)phenyl]phenyl]pentan-3-one?
The IUPAC name of 4-hydroxy-1-[4-[2-(trifluoromethyl)phenyl]phenyl]pentan-3-one (CID 67555749) is 4-hydroxy-1-[4-[2-(trifluoromethyl)phenyl]phenyl]pentan-3-one.
What is the SMILES notation for 4-hydroxy-1-[4-[2-(trifluoromethyl)phenyl]phenyl]pentan-3-one?
The canonical SMILES for 4-hydroxy-1-[4-[2-(trifluoromethyl)phenyl]phenyl]pentan-3-one is CC(O)C(=O)CCc1ccc(-c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 4-hydroxy-1-[4-[2-(trifluoromethyl)phenyl]phenyl]pentan-3-one?
The InChIKey is TUWDOZMKVROAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3O2/c1-12(22)17(23)11-8-13-6-9-14(10-7-13)15-4-2-3-5-16(15)18(19,20)21/h2-7,9-10,12,22H,8,11H2,1H3.
What are the key properties of 4-hydroxy-1-[4-[2-(trifluoromethyl)phenyl]phenyl]pentan-3-one?
4-hydroxy-1-[4-[2-(trifluoromethyl)phenyl]phenyl]pentan-3-one has a molecular weight of 322.33 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[4-[2-(trifluoromethyl)phenyl]phenyl]pentan-3-one is sourced from PubChem (CID 67555749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).