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

C11H13F3O3 — CID 79566446

IUPAC2-ethoxy-1-[4-(trifluoromethoxy)phenyl]ethanol
SMILESCCOCC(O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H13F3O3/c1-2-16-7-10(15)8-3-5-9(6-4-8)17-11(12,13)14/h3-6,10,15H,2,7H2,1H3
InChIKeyIWZRKRWLRAAANN-UHFFFAOYSA-N
MW250.22 g/mol
LogP2.66
Rot. Bonds5

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

2-ethoxy-1-[4-(trifluoromethoxy)phenyl]ethanol (PubChem CID 79566446) has the molecular formula C11H13F3O3 and a molecular weight of 250.22 g/mol. Its IUPAC name is 2-ethoxy-1-[4-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-ethoxy-1-[4-(trifluoromethoxy)phenyl]ethanol
PubChem CID79566446
Molecular FormulaC11H13F3O3
Molecular Weight250.22 g/mol
Exact Mass250.08
IUPAC Name2-ethoxy-1-[4-(trifluoromethoxy)phenyl]ethanol
SMILESCCOCC(O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H13F3O3/c1-2-16-7-10(15)8-3-5-9(6-4-8)17-11(12,13)14/h3-6,10,15H,2,7H2,1H3
InChIKeyIWZRKRWLRAAANN-UHFFFAOYSA-N
XLogP2.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-hydroxy-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 62393974
2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 43209057
3-amino-1-[4-(trifluoromethoxy)phenyl]butan-1-ol
CID 81463053
1-(4-cyclopropyloxyphenyl)-2-ethoxyethanol
CID 114519068
3-methyl-1-[4-(trifluoromethoxy)phenyl]hexan-1-ol
CID 65148408
2-[4-(trifluoromethoxy)phenoxy]pentan-3-ol
CID 154277404
2-[hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-2-methylbutanenitrile
CID 79136280
2-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-ol
CID 107892620
ethyl (2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]acetate
CID 93320084
4-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]butan-1-ol
CID 65148112
[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]azanide
CID 162105991
1-(1-bromopropyl)-4-(trifluoromethoxy)benzene
CID 53466431

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[4-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 2-ethoxy-1-[4-(trifluoromethoxy)phenyl]ethanol (CID 79566446) is 2-ethoxy-1-[4-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 2-ethoxy-1-[4-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 2-ethoxy-1-[4-(trifluoromethoxy)phenyl]ethanol is CCOCC(O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-ethoxy-1-[4-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is IWZRKRWLRAAANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O3/c1-2-16-7-10(15)8-3-5-9(6-4-8)17-11(12,13)14/h3-6,10,15H,2,7H2,1H3.
What are the key properties of 2-ethoxy-1-[4-(trifluoromethoxy)phenyl]ethanol?
2-ethoxy-1-[4-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 250.22 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[4-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 79566446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).