(1R)-1-[3-methoxy-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol

C13H17F3O4 — CID 63364673

IUPAC(1R)-1-[3-methoxy-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol
SMILESCOc1cc([C@@H](C)O)ccc1OCCOCC(F)(F)F
InChIInChI=1S/C13H17F3O4/c1-9(17)10-3-4-11(12(7-10)18-2)20-6-5-19-8-13(14,15)16/h3-4,7,9,17H,5-6,8H2,1-2H3/t9-/m1/s1
InChIKeyFFKNPLYMPYYMQB-SECBINFHSA-N
MW294.27 g/mol
LogP2.71
Rot. Bonds7

About (1R)-1-[3-methoxy-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol

(1R)-1-[3-methoxy-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol (PubChem CID 63364673) has the molecular formula C13H17F3O4 and a molecular weight of 294.27 g/mol. Its IUPAC name is (1R)-1-[3-methoxy-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-methoxy-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol
PubChem CID63364673
Molecular FormulaC13H17F3O4
Molecular Weight294.27 g/mol
Exact Mass294.11
IUPAC Name(1R)-1-[3-methoxy-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol
SMILESCOc1cc([C@@H](C)O)ccc1OCCOCC(F)(F)F
InChIInChI=1S/C13H17F3O4/c1-9(17)10-3-4-11(12(7-10)18-2)20-6-5-19-8-13(14,15)16/h3-4,7,9,17H,5-6,8H2,1-2H3/t9-/m1/s1
InChIKeyFFKNPLYMPYYMQB-SECBINFHSA-N
XLogP2.71
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R)-1-[3-methoxy-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-methoxy-4-(2-propoxyethoxy)phenyl]ethanol
CID 106453708
(1S)-1-[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol
CID 79016651
(1S)-1-(4-butoxy-3-methoxyphenyl)ethanol
CID 63364662
4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylbutan-2-ol
CID 79355074
4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]butan-1-ol
CID 55188992
1-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 63364683
(1S)-1-[3-methoxy-4-(3-methoxy-3-methylbutoxy)phenyl]ethanol
CID 103034187
(1S)-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol
CID 78947557
(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol
CID 65364454
4-[4-(1-hydroxyethyl)-2-methoxyphenoxy]butanenitrile
CID 43503833
1-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-2,3-dimethylbutan-2-ol
CID 114494404
4-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]butanenitrile
CID 55189697

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-methoxy-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-methoxy-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol (CID 63364673) is (1R)-1-[3-methoxy-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-methoxy-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-methoxy-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol is COc1cc([C@@H](C)O)ccc1OCCOCC(F)(F)F.
What is the InChIKey of (1R)-1-[3-methoxy-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol?
The InChIKey is FFKNPLYMPYYMQB-SECBINFHSA-N. The full InChI is InChI=1S/C13H17F3O4/c1-9(17)10-3-4-11(12(7-10)18-2)20-6-5-19-8-13(14,15)16/h3-4,7,9,17H,5-6,8H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-[3-methoxy-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol?
(1R)-1-[3-methoxy-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol has a molecular weight of 294.27 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-methoxy-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol is sourced from PubChem (CID 63364673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).