4-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxy]butan-1-ol

C18H19F3O2 — CID 175116158

IUPAC4-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxy]butan-1-ol
SMILESOCCCC(OCc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C18H19F3O2/c19-18(20,21)16-9-4-6-14(12-16)13-23-17(10-5-11-22)15-7-2-1-3-8-15/h1-4,6-9,12,17,22H,5,10-11,13H2
InChIKeyCLPJOIXXXIHTGQ-UHFFFAOYSA-N
MW324.34 g/mol
LogP4.74
Rot. Bonds7

About 4-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxy]butan-1-ol

4-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxy]butan-1-ol (PubChem CID 175116158) has the molecular formula C18H19F3O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 4-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxy]butan-1-ol.

Molecular Properties

Compound Name4-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxy]butan-1-ol
PubChem CID175116158
Molecular FormulaC18H19F3O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name4-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxy]butan-1-ol
SMILESOCCCC(OCc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C18H19F3O2/c19-18(20,21)16-9-4-6-14(12-16)13-23-17(10-5-11-22)15-7-2-1-3-8-15/h1-4,6-9,12,17,22H,5,10-11,13H2
InChIKeyCLPJOIXXXIHTGQ-UHFFFAOYSA-N
XLogP4.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
(4S)-4-amino-4-[3-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171226401
3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol
CID 15059584
1-(4-bromo-4-phenylbutyl)-3-(trifluoromethyl)benzene
CID 64506557
1-(2-chloro-2-phenylethyl)-3-(trifluoromethyl)benzene
CID 4737547
2-phenyl-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 65431890
(3S,4Z)-3-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxyimino]butan-2-one
CID 40521590
(2R)-2-[(3-tert-butylphenyl)methoxy]-2-(3-chlorophenyl)ethanamine
CID 130253559
(2R)-2-phenyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]methoxy]ethanamine
CID 130253876
dibenzyl 2-[[3-(trifluoromethyl)phenyl]methyl]propanedioate
CID 10503338
1-amino-1-phenyl-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 116551173
[3-(trifluoromethyl)phenyl]methyl 2-benzyl-3-hydroxy-3-pyridin-3-ylpropanoate
CID 68502522

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxy]butan-1-ol?
The IUPAC name of 4-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxy]butan-1-ol (CID 175116158) is 4-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxy]butan-1-ol.
What is the SMILES notation for 4-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxy]butan-1-ol?
The canonical SMILES for 4-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxy]butan-1-ol is OCCCC(OCc1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of 4-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxy]butan-1-ol?
The InChIKey is CLPJOIXXXIHTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3O2/c19-18(20,21)16-9-4-6-14(12-16)13-23-17(10-5-11-22)15-7-2-1-3-8-15/h1-4,6-9,12,17,22H,5,10-11,13H2.
What are the key properties of 4-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxy]butan-1-ol?
4-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxy]butan-1-ol has a molecular weight of 324.34 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxy]butan-1-ol is sourced from PubChem (CID 175116158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).