1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethanol

C12H15F3O2 — CID 64565484

IUPAC1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
SMILESCc1ccc(OCCC(F)(F)F)c(C(C)O)c1
InChIInChI=1S/C12H15F3O2/c1-8-3-4-11(10(7-8)9(2)16)17-6-5-12(13,14)15/h3-4,7,9,16H,5-6H2,1-2H3
InChIKeyRGESYKGHXKCSEO-UHFFFAOYSA-N
MW248.24 g/mol
LogP3.38
Rot. Bonds4

About 1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethanol

1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethanol (PubChem CID 64565484) has the molecular formula C12H15F3O2 and a molecular weight of 248.24 g/mol. Its IUPAC name is 1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
PubChem CID64565484
Molecular FormulaC12H15F3O2
Molecular Weight248.24 g/mol
Exact Mass248.10
IUPAC Name1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
SMILESCc1ccc(OCCC(F)(F)F)c(C(C)O)c1
InChIInChI=1S/C12H15F3O2/c1-8-3-4-11(10(7-8)9(2)16)17-6-5-12(13,14)15/h3-4,7,9,16H,5-6H2,1-2H3
InChIKeyRGESYKGHXKCSEO-UHFFFAOYSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[5-bromo-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
CID 78996570
1-[4-methyl-2-(4,4,4-trifluorobutoxy)phenyl]ethanol
CID 113326521
1,1,1-trifluoro-3-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]propan-2-ol
CID 78954021
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
1-[2-(3-methoxypropoxy)-5-methylphenyl]ethanol
CID 60925219
1-[2-(2-ethoxyethoxy)-5-methylphenyl]ethanol
CID 43505298
3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N,N-dimethylpropanamide
CID 63366501
1-[2-(2,2-difluoroethoxy)-5-methylphenyl]ethanol
CID 60923086
(1R)-1-[5-methyl-2-(2-phenoxyethoxy)phenyl]ethanol
CID 63366399
1-[4-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
CID 64566512
6-[2-(1-hydroxyethyl)-4-methylphenoxy]-2,2-dimethylhexanenitrile
CID 106712938
1-(5-methyl-2-pent-3-ynoxyphenyl)ethanol
CID 104808218

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethanol?
The IUPAC name of 1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethanol (CID 64565484) is 1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethanol.
What is the SMILES notation for 1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethanol?
The canonical SMILES for 1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethanol is Cc1ccc(OCCC(F)(F)F)c(C(C)O)c1.
What is the InChIKey of 1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethanol?
The InChIKey is RGESYKGHXKCSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O2/c1-8-3-4-11(10(7-8)9(2)16)17-6-5-12(13,14)15/h3-4,7,9,16H,5-6H2,1-2H3.
What are the key properties of 1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethanol?
1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethanol has a molecular weight of 248.24 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethanol is sourced from PubChem (CID 64565484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).