(3R)-3-hydroxy-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one

C16H13F3O2 — CID 101378731

IUPAC(3R)-3-hydroxy-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESO=C(C[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H13F3O2/c17-16(18,19)13-8-6-12(7-9-13)15(21)10-14(20)11-4-2-1-3-5-11/h1-9,15,21H,10H2/t15-/m1/s1
InChIKeyYAUKCFIGAIIPCG-OAHLLOKOSA-N
MW294.27 g/mol
LogP4.01
Rot. Bonds4

About (3R)-3-hydroxy-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one

(3R)-3-hydroxy-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 101378731) has the molecular formula C16H13F3O2 and a molecular weight of 294.27 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
PubChem CID101378731
Molecular FormulaC16H13F3O2
Molecular Weight294.27 g/mol
Exact Mass294.09
IUPAC Name(3R)-3-hydroxy-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESO=C(C[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H13F3O2/c17-16(18,19)13-8-6-12(7-9-13)15(21)10-14(20)11-4-2-1-3-5-11/h1-9,15,21H,10H2/t15-/m1/s1
InChIKeyYAUKCFIGAIIPCG-OAHLLOKOSA-N
XLogP4.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-hydroxy-1-phenyl-3-(4-phenylphenyl)propan-1-one
CID 102595151
3-(4-chlorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 11032650
(3R)-1-phenyl-3-pyrazol-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 102125723
(4R)-4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-one
CID 11593826
CID 175394574
CID 175394574
ethyl (3S)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoate
CID 94425179
2-bromo-1-phenyl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 54412235
(1S)-3-[dimethyl(phenyl)silyl]-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 10689220
(3R)-4,4,5,5,5-pentafluoro-3-hydroxy-1-phenylpentan-1-one
CID 53255086
(5R)-6-nitro-1-phenyl-5-[4-(trifluoromethyl)phenyl]hexane-1,3-dione
CID 132837344
1-phenyl-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 60624077
N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 155676275

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of (3R)-3-hydroxy-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one (CID 101378731) is (3R)-3-hydroxy-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for (3R)-3-hydroxy-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for (3R)-3-hydroxy-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one is O=C(C[C@@H](O)c1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of (3R)-3-hydroxy-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is YAUKCFIGAIIPCG-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H13F3O2/c17-16(18,19)13-8-6-12(7-9-13)15(21)10-14(20)11-4-2-1-3-5-11/h1-9,15,21H,10H2/t15-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one?
(3R)-3-hydroxy-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 294.27 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 101378731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).