phenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]methanone

C17H15F3O3 — CID 67804020

IUPACphenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]methanone
SMILESCC(O)(COc1ccccc1C(=O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H15F3O3/c1-16(22,17(18,19)20)11-23-14-10-6-5-9-13(14)15(21)12-7-3-2-4-8-12/h2-10,22H,11H2,1H3
InChIKeyNSMIFQABHPVZCW-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.61
Rot. Bonds5

About phenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]methanone

phenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]methanone (PubChem CID 67804020) has the molecular formula C17H15F3O3 and a molecular weight of 324.30 g/mol. Its IUPAC name is phenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]methanone.

Molecular Properties

Compound Namephenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]methanone
PubChem CID67804020
Molecular FormulaC17H15F3O3
Molecular Weight324.30 g/mol
Exact Mass324.10
IUPAC Namephenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]methanone
SMILESCC(O)(COc1ccccc1C(=O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H15F3O3/c1-16(22,17(18,19)20)11-23-14-10-6-5-9-13(14)15(21)12-7-3-2-4-8-12/h2-10,22H,11H2,1H3
InChIKeyNSMIFQABHPVZCW-UHFFFAOYSA-N
XLogP3.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1,1-dihydroxyethoxy)phenyl]-phenylmethanone
CID 139905658
phenyl-(2-propoxyphenyl)methanone
CID 15556308
diphenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]sulfanium
CID 158389401
2-(2,2,2-trifluoroethoxy)benzoic acid
CID 11528644
phenyl-(2-prop-2-ynoxyphenyl)methanone
CID 90928602
[2-(4-hydroxybutoxy)phenyl]-phenylmethanone
CID 166068572
2-(2-hydroxy-2-phenylpropoxy)benzoic acid
CID 62374978
[2-(4-bromobutoxy)phenyl]-phenylmethanone
CID 12660376
ethenyl 2-(2-benzoylphenoxy)acetate
CID 141075615
(2-benzoylphenyl) 2-methoxyacetate
CID 150870757
phenyl-[2-(2,2,2-trifluoroethoxy)-4-(2,2,2-trifluoroethyl)phenyl]methanone
CID 150620542
phenyl-(2-silylphenyl)methanone
CID 137327642

Frequently Asked Questions

What is the IUPAC name of phenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]methanone?
The IUPAC name of phenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]methanone (CID 67804020) is phenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]methanone.
What is the SMILES notation for phenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]methanone?
The canonical SMILES for phenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]methanone is CC(O)(COc1ccccc1C(=O)c1ccccc1)C(F)(F)F.
What is the InChIKey of phenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]methanone?
The InChIKey is NSMIFQABHPVZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O3/c1-16(22,17(18,19)20)11-23-14-10-6-5-9-13(14)15(21)12-7-3-2-4-8-12/h2-10,22H,11H2,1H3.
What are the key properties of phenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]methanone?
phenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]methanone has a molecular weight of 324.30 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]methanone is sourced from PubChem (CID 67804020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).