1-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol

C16H15F3O2 — CID 62787433

IUPAC1-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
SMILESCc1ccccc1C(C)(O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H15F3O2/c1-11-7-3-4-8-12(11)15(2,20)13-9-5-6-10-14(13)21-16(17,18)19/h3-10,20H,1-2H3
InChIKeyDLKJQUCSNCBRIT-UHFFFAOYSA-N
MW296.29 g/mol
LogP4.15
Rot. Bonds3

About 1-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol

1-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol (PubChem CID 62787433) has the molecular formula C16H15F3O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is 1-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
PubChem CID62787433
Molecular FormulaC16H15F3O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC Name1-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
SMILESCc1ccccc1C(C)(O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H15F3O2/c1-11-7-3-4-8-12(11)15(2,20)13-9-5-6-10-14(13)21-16(17,18)19/h3-10,20H,1-2H3
InChIKeyDLKJQUCSNCBRIT-UHFFFAOYSA-N
XLogP4.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-(trifluoromethoxy)benzene
CID 159717363
3,3-dimethyl-2-[2-(trifluoromethoxy)phenyl]butan-2-ol
CID 113302790
1-(furan-3-yl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 115467220
1-(3-fluorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 62787438
1-(5-fluoro-2-methoxyphenyl)-1-(2-methylphenyl)ethanol
CID 82770234
4-[2-(trifluoromethoxy)phenyl]heptan-4-ol
CID 114866167
1-(2,3-difluorophenyl)-1-(2-methylphenyl)ethanol
CID 63988174
1-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 114794872
2-[2-(trifluoromethoxy)phenyl]heptan-2-ol
CID 80557865
2-(2-methylphenoxy)propan-2-ol
CID 21192257
4-(tert-butylamino)-2-[2-(trifluoromethoxy)phenyl]butan-2-ol
CID 66002654
1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 60699442

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 1-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol (CID 62787433) is 1-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 1-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 1-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol is Cc1ccccc1C(C)(O)c1ccccc1OC(F)(F)F.
What is the InChIKey of 1-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is DLKJQUCSNCBRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O2/c1-11-7-3-4-8-12(11)15(2,20)13-9-5-6-10-14(13)21-16(17,18)19/h3-10,20H,1-2H3.
What are the key properties of 1-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol?
1-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 296.29 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 62787433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).