[3-fluoro-5-methyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol

C16H14F4O2 — CID 145108438

IUPAC[3-fluoro-5-methyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol
SMILESCc1ccc(Oc2c(C)cc(CO)cc2F)cc1C(F)(F)F
InChIInChI=1S/C16H14F4O2/c1-9-3-4-12(7-13(9)16(18,19)20)22-15-10(2)5-11(8-21)6-14(15)17/h3-7,21H,8H2,1-2H3
InChIKeyWGRAMEPZTKYMLA-UHFFFAOYSA-N
MW314.28 g/mol
LogP4.75
Rot. Bonds3

About [3-fluoro-5-methyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol

[3-fluoro-5-methyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol (PubChem CID 145108438) has the molecular formula C16H14F4O2 and a molecular weight of 314.28 g/mol. Its IUPAC name is [3-fluoro-5-methyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-5-methyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol
PubChem CID145108438
Molecular FormulaC16H14F4O2
Molecular Weight314.28 g/mol
Exact Mass314.09
IUPAC Name[3-fluoro-5-methyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol
SMILESCc1ccc(Oc2c(C)cc(CO)cc2F)cc1C(F)(F)F
InChIInChI=1S/C16H14F4O2/c1-9-3-4-12(7-13(9)16(18,19)20)22-15-10(2)5-11(8-21)6-14(15)17/h3-7,21H,8H2,1-2H3
InChIKeyWGRAMEPZTKYMLA-UHFFFAOYSA-N
XLogP4.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol
CID 145108431
2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]ethanol;ethane
CID 145108455
5-ethyl-1-fluoro-3-methyl-2-(4-methylphenoxy)benzene
CID 123903302
[4-[(3,4-dimethylphenyl)methoxy]-3,5-difluorophenyl]methanol
CID 79888635
[4-[[2-(1,1-difluoroethyl)-4-pyridinyl]oxy]-3,5-difluorophenyl]methanol
CID 138720637
5-(bromomethyl)-2-(3,4-dimethylphenoxy)-1,3-difluorobenzene
CID 107086989
1,3-difluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]-5-(nitrosomethyl)benzene
CID 167046272
[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 79888258
[4-(3,4-difluorophenoxy)-3-(trifluoromethyl)phenyl]methanol
CID 71240983
4-chloro-3-methylphenol;4-(4-chloro-3-methylphenoxy)-3,5-difluorobenzaldehyde;[4-(4-chloro-3-methylphenoxy)-3,5-difluorophenyl]methanol;3,4,5-trifluorobenzaldehyde
CID 159231289
3-[4-methyl-3-(trifluoromethyl)phenoxy]propane-1,2-diol
CID 70644511
7-[[3,5-difluoro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methoxy]-3-pyrimidin-5-yl-[1,2,4]triazolo[4,3-a]pyrimidine
CID 145184578

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-methyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol?
The IUPAC name of [3-fluoro-5-methyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol (CID 145108438) is [3-fluoro-5-methyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol.
What is the SMILES notation for [3-fluoro-5-methyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol?
The canonical SMILES for [3-fluoro-5-methyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol is Cc1ccc(Oc2c(C)cc(CO)cc2F)cc1C(F)(F)F.
What is the InChIKey of [3-fluoro-5-methyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol?
The InChIKey is WGRAMEPZTKYMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4O2/c1-9-3-4-12(7-13(9)16(18,19)20)22-15-10(2)5-11(8-21)6-14(15)17/h3-7,21H,8H2,1-2H3.
What are the key properties of [3-fluoro-5-methyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol?
[3-fluoro-5-methyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol has a molecular weight of 314.28 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-methyl-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol is sourced from PubChem (CID 145108438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).