1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanol

C16H15F3O2 — CID 43503898

IUPAC1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanol
SMILESCC(O)c1ccccc1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3O2/c1-11(20)14-7-2-3-8-15(14)21-10-12-5-4-6-13(9-12)16(17,18)19/h2-9,11,20H,10H2,1H3
InChIKeyCRBMXGHORHNOQO-UHFFFAOYSA-N
MW296.29 g/mol
LogP4.34
Rot. Bonds4

About 1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanol

1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanol (PubChem CID 43503898) has the molecular formula C16H15F3O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is 1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanol
PubChem CID43503898
Molecular FormulaC16H15F3O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC Name1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanol
SMILESCC(O)c1ccccc1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3O2/c1-11(20)14-7-2-3-8-15(14)21-10-12-5-4-6-13(9-12)16(17,18)19/h2-9,11,20H,10H2,1H3
InChIKeyCRBMXGHORHNOQO-UHFFFAOYSA-N
XLogP4.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-propan-2-yl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627388
1-[2-[(3-bromophenyl)methoxy]phenyl]ethanol
CID 43504021
(1S)-1-[2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol
CID 82918200
1-ethyl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627169
1-[2-[(3-nitrophenyl)methoxy]phenyl]ethanol
CID 43503886
[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 43147467
(1S)-1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol
CID 63364724
2-methyl-6-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 43437992
2-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 43437803
1-[2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 43504033
2-methoxy-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788028
(1R)-1-[2-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 63364819

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanol?
The IUPAC name of 1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanol (CID 43503898) is 1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanol?
The canonical SMILES for 1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanol is CC(O)c1ccccc1OCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanol?
The InChIKey is CRBMXGHORHNOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O2/c1-11(20)14-7-2-3-8-15(14)21-10-12-5-4-6-13(9-12)16(17,18)19/h2-9,11,20H,10H2,1H3.
What are the key properties of 1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanol?
1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanol has a molecular weight of 296.29 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanol is sourced from PubChem (CID 43503898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).