[(3R,5S)-5-[3-(hydroxymethyl)phenyl]-5-(2,2,2-trifluoroethyl)oxolan-3-yl]methanol

C14H17F3O3 — CID 154720123

IUPAC[(3R,5S)-5-[3-(hydroxymethyl)phenyl]-5-(2,2,2-trifluoroethyl)oxolan-3-yl]methanol
SMILESOCc1cccc([C@@]2(CC(F)(F)F)C[C@H](CO)CO2)c1
InChIInChI=1S/C14H17F3O3/c15-14(16,17)9-13(5-11(7-19)8-20-13)12-3-1-2-10(4-12)6-18/h1-4,11,18-19H,5-9H2/t11-,13+/m1/s1
InChIKeyHIOPMQVVFJDUGH-YPMHNXCESA-N
MW290.28 g/mol
LogP2.36
Rot. Bonds4

About [(3R,5S)-5-[3-(hydroxymethyl)phenyl]-5-(2,2,2-trifluoroethyl)oxolan-3-yl]methanol

[(3R,5S)-5-[3-(hydroxymethyl)phenyl]-5-(2,2,2-trifluoroethyl)oxolan-3-yl]methanol (PubChem CID 154720123) has the molecular formula C14H17F3O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is [(3R,5S)-5-[3-(hydroxymethyl)phenyl]-5-(2,2,2-trifluoroethyl)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[(3R,5S)-5-[3-(hydroxymethyl)phenyl]-5-(2,2,2-trifluoroethyl)oxolan-3-yl]methanol
PubChem CID154720123
Molecular FormulaC14H17F3O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Name[(3R,5S)-5-[3-(hydroxymethyl)phenyl]-5-(2,2,2-trifluoroethyl)oxolan-3-yl]methanol
SMILESOCc1cccc([C@@]2(CC(F)(F)F)C[C@H](CO)CO2)c1
InChIInChI=1S/C14H17F3O3/c15-14(16,17)9-13(5-11(7-19)8-20-13)12-3-1-2-10(4-12)6-18/h1-4,11,18-19H,5-9H2/t11-,13+/m1/s1
InChIKeyHIOPMQVVFJDUGH-YPMHNXCESA-N
XLogP2.36
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(+/-)-trans-(3-(3,5-Bis(trifluoromethyl)benzyloxy)-2-phenylcyclopentyl)methanol
CID 44415444
2,3-Bis-(4-fluorophenyl)-5-hydroxymethyltetrahydrofuran-3-ol
CID 42609841
(2R,3S,5R)-5-(hydroxymethyl)-2,3-diphenyltetrahydrofuran-3-ol
CID 11459907
(2R,3S,5R)-5-[2,4-difluoro-5-(trifluoromethyl)phenyl]-2-(hydroxymethyl)tetrahydrofuran-3-ol
CID 502242
1,4-Anhydro-2-deoxy-1-C-(2,4-difluorophenyl)-D-erythro-pentitol, (1R)-
CID 502234
(2R,3S,5R)-5-(2,4-difluoro-5-methyl-phenyl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
CID 502235
(2R,3S,5S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
CID 502247
(2R,3S,5S)-5-(2,4-difluoro-5-methyl-phenyl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
CID 502248
(2R,3S,5R)-5-(5-ethyl-2,4-difluoro-phenyl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
CID 512603
(2R,3S,5R)-5-(2,4-difluoro-5-vinyl-phenyl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
CID 513278
(2R,3S,5R)-5-[2,4-difluoro-5-[(E)-2-iodovinyl]phenyl]-2-(hydroxymethyl)tetrahydrofuran-3-ol
CID 6479208
(3R-cis)-5-(2,4-difluorophenyl)tetrahydro-5-(iodomethyl)-3-furanmethanol
CID 15238252

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-5-[3-(hydroxymethyl)phenyl]-5-(2,2,2-trifluoroethyl)oxolan-3-yl]methanol?
The IUPAC name of [(3R,5S)-5-[3-(hydroxymethyl)phenyl]-5-(2,2,2-trifluoroethyl)oxolan-3-yl]methanol (CID 154720123) is [(3R,5S)-5-[3-(hydroxymethyl)phenyl]-5-(2,2,2-trifluoroethyl)oxolan-3-yl]methanol.
What is the SMILES notation for [(3R,5S)-5-[3-(hydroxymethyl)phenyl]-5-(2,2,2-trifluoroethyl)oxolan-3-yl]methanol?
The canonical SMILES for [(3R,5S)-5-[3-(hydroxymethyl)phenyl]-5-(2,2,2-trifluoroethyl)oxolan-3-yl]methanol is OCc1cccc([C@@]2(CC(F)(F)F)C[C@H](CO)CO2)c1.
What is the InChIKey of [(3R,5S)-5-[3-(hydroxymethyl)phenyl]-5-(2,2,2-trifluoroethyl)oxolan-3-yl]methanol?
The InChIKey is HIOPMQVVFJDUGH-YPMHNXCESA-N. The full InChI is InChI=1S/C14H17F3O3/c15-14(16,17)9-13(5-11(7-19)8-20-13)12-3-1-2-10(4-12)6-18/h1-4,11,18-19H,5-9H2/t11-,13+/m1/s1.
What are the key properties of [(3R,5S)-5-[3-(hydroxymethyl)phenyl]-5-(2,2,2-trifluoroethyl)oxolan-3-yl]methanol?
[(3R,5S)-5-[3-(hydroxymethyl)phenyl]-5-(2,2,2-trifluoroethyl)oxolan-3-yl]methanol has a molecular weight of 290.28 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-5-[3-(hydroxymethyl)phenyl]-5-(2,2,2-trifluoroethyl)oxolan-3-yl]methanol is sourced from PubChem (CID 154720123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).