1-(oxan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol

C14H17F3O3 — CID 115787220

IUPAC1-(oxan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol
SMILESOC(Cc1ccc(OC(F)(F)F)cc1)C1CCCCO1
InChIInChI=1S/C14H17F3O3/c15-14(16,17)20-11-6-4-10(5-7-11)9-12(18)13-3-1-2-8-19-13/h4-7,12-13,18H,1-3,8-9H2
InChIKeyTUCGZNCNOCCWBQ-UHFFFAOYSA-N
MW290.28 g/mol
LogP3.06
Rot. Bonds4

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

1-(oxan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol (PubChem CID 115787220) has the molecular formula C14H17F3O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 1-(oxan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-(oxan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol
PubChem CID115787220
Molecular FormulaC14H17F3O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Name1-(oxan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol
SMILESOC(Cc1ccc(OC(F)(F)F)cc1)C1CCCCO1
InChIInChI=1S/C14H17F3O3/c15-14(16,17)20-11-6-4-10(5-7-11)9-12(18)13-3-1-2-8-19-13/h4-7,12-13,18H,1-3,8-9H2
InChIKeyTUCGZNCNOCCWBQ-UHFFFAOYSA-N
XLogP3.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-1-(oxolan-2-yl)ethanol
CID 65331645
1-(oxolan-2-yl)-2-phenylethanol
CID 65331018
1-cyclopentyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 115787261
2-(3,5-difluorophenyl)-1-(oxan-2-yl)ethanol
CID 105412847
4-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]butan-2-ol
CID 115787298
2-(2-fluorophenyl)-1-(oxan-2-yl)ethanol
CID 114977828
N-methyl-1-(3-methyloxolan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 115843431
N-methyl-1-(oxan-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 65331754
4-[3-hydroxy-3-(oxan-2-yl)propyl]phenol
CID 57039358
1-cyclopropyl-1-methoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 116712645
2-naphthalen-1-yl-1-(oxan-2-yl)ethanol
CID 115784699
2-(2-bromo-3-fluorophenyl)-1-(oxan-2-yl)ethanol
CID 115826491

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 1-(oxan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol (CID 115787220) is 1-(oxan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 1-(oxan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 1-(oxan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol is OC(Cc1ccc(OC(F)(F)F)cc1)C1CCCCO1.
What is the InChIKey of 1-(oxan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is TUCGZNCNOCCWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O3/c15-14(16,17)20-11-6-4-10(5-7-11)9-12(18)13-3-1-2-8-19-13/h4-7,12-13,18H,1-3,8-9H2.
What are the key properties of 1-(oxan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol?
1-(oxan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 290.28 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 115787220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).