(1S)-1-[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol

C12H15F3O4 — CID 79016651

IUPAC(1S)-1-[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol
SMILESCOc1cc([C@H](C)O)ccc1OCCOC(F)(F)F
InChIInChI=1S/C12H15F3O4/c1-8(16)9-3-4-10(11(7-9)17-2)18-5-6-19-12(13,14)15/h3-4,7-8,16H,5-6H2,1-2H3/t8-/m0/s1
InChIKeyAAUXWRGFTPECTK-QMMMGPOBSA-N
MW280.24 g/mol
LogP2.66
Rot. Bonds6

About (1S)-1-[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol

(1S)-1-[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol (PubChem CID 79016651) has the molecular formula C12H15F3O4 and a molecular weight of 280.24 g/mol. Its IUPAC name is (1S)-1-[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol
PubChem CID79016651
Molecular FormulaC12H15F3O4
Molecular Weight280.24 g/mol
Exact Mass280.09
IUPAC Name(1S)-1-[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol
SMILESCOc1cc([C@H](C)O)ccc1OCCOC(F)(F)F
InChIInChI=1S/C12H15F3O4/c1-8(16)9-3-4-10(11(7-9)17-2)18-5-6-19-12(13,14)15/h3-4,7-8,16H,5-6H2,1-2H3/t8-/m0/s1
InChIKeyAAUXWRGFTPECTK-QMMMGPOBSA-N
XLogP2.66
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[3-methoxy-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol
CID 63364673
(1S)-1-(4-butoxy-3-methoxyphenyl)ethanol
CID 63364662
(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol
CID 65364454
4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylbutan-2-ol
CID 79355074
1-[3-methoxy-4-(2-propoxyethoxy)phenyl]ethanol
CID 106453708
4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]butan-1-ol
CID 55188992
2-methoxy-4-methyl-1-[2-(trifluoromethoxy)ethoxy]benzene
CID 58550881
(1S)-1-[3-methoxy-4-(3-methoxy-3-methylbutoxy)phenyl]ethanol
CID 103034187
4-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]butanenitrile
CID 55189697
4-[4-(1-hydroxyethyl)-2-methoxyphenoxy]butanenitrile
CID 43503833
1-(4-methoxy-3-pentoxyphenyl)ethanol
CID 91655145
1-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 63364683

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol (CID 79016651) is (1S)-1-[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol is COc1cc([C@H](C)O)ccc1OCCOC(F)(F)F.
What is the InChIKey of (1S)-1-[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol?
The InChIKey is AAUXWRGFTPECTK-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15F3O4/c1-8(16)9-3-4-10(11(7-9)17-2)18-5-6-19-12(13,14)15/h3-4,7-8,16H,5-6H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol?
(1S)-1-[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol has a molecular weight of 280.24 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol is sourced from PubChem (CID 79016651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).