1-(4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol

C16H15F3O2 — CID 117244595

IUPAC1-(4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol
SMILESCc1ccc(C(O)COc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H15F3O2/c1-11-5-7-12(8-6-11)15(20)10-21-14-4-2-3-13(9-14)16(17,18)19/h2-9,15,20H,10H2,1H3
InChIKeyRIDQNNCDKLMDPV-UHFFFAOYSA-N
MW296.29 g/mol
LogP4.13
Rot. Bonds4

About 1-(4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol

1-(4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol (PubChem CID 117244595) has the molecular formula C16H15F3O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol
PubChem CID117244595
Molecular FormulaC16H15F3O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC Name1-(4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol
SMILESCc1ccc(C(O)COc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H15F3O2/c1-11-5-7-12(8-6-11)15(20)10-21-14-4-2-3-13(9-14)16(17,18)19/h2-9,15,20H,10H2,1H3
InChIKeyRIDQNNCDKLMDPV-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-[3-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241710
(E,2R)-1-[3-(trifluoromethyl)phenoxy]pent-3-en-2-ol
CID 58289073
2-(4-chlorophenoxy)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 115766334
(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 60799413
1-methylsulfonyl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 110906345
2-(2-fluoro-3-methylphenoxy)-1-(4-methylphenyl)ethanol
CID 103975241
1-[3-(trifluoromethyl)phenoxy]butan-2-amine
CID 11009853
4,4-dimethyl-2-[[3-(trifluoromethyl)phenoxy]methyl]pentan-1-ol
CID 117241893
2-[1-amino-2-[3-(trifluoromethyl)phenoxy]ethyl]phenol
CID 117243705
1-(propylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 43166208
1-phenyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 164622114
methyl 2-bromo-3-[3-(trifluoromethyl)phenoxy]propanoate
CID 81092547

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol?
The IUPAC name of 1-(4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol (CID 117244595) is 1-(4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol.
What is the SMILES notation for 1-(4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol?
The canonical SMILES for 1-(4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol is Cc1ccc(C(O)COc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol?
The InChIKey is RIDQNNCDKLMDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O2/c1-11-5-7-12(8-6-11)15(20)10-21-14-4-2-3-13(9-14)16(17,18)19/h2-9,15,20H,10H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol?
1-(4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol has a molecular weight of 296.29 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]ethanol is sourced from PubChem (CID 117244595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).