(1R)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol

C16H23FO3 — CID 104940321

IUPAC(1R)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
SMILESC[C@@H](O)c1cc(F)ccc1OC1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H23FO3/c1-10(18)12-8-11(17)6-7-13(12)19-14-9-15(2,3)20-16(14,4)5/h6-8,10,14,18H,9H2,1-5H3/t10-,14?/m1/s1
InChIKeyYVPOQLPVGNJYLN-IAPIXIRKSA-N
MW282.36 g/mol
LogP3.60
Rot. Bonds3

About (1R)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol

(1R)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol (PubChem CID 104940321) has the molecular formula C16H23FO3 and a molecular weight of 282.36 g/mol. Its IUPAC name is (1R)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
PubChem CID104940321
Molecular FormulaC16H23FO3
Molecular Weight282.36 g/mol
Exact Mass282.16
IUPAC Name(1R)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
SMILESC[C@@H](O)c1cc(F)ccc1OC1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H23FO3/c1-10(18)12-8-11(17)6-7-13(12)19-14-9-15(2,3)20-16(14,4)5/h6-8,10,14,18H,9H2,1-5H3/t10-,14?/m1/s1
InChIKeyYVPOQLPVGNJYLN-IAPIXIRKSA-N
XLogP3.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine
CID 104940261
1-[4-bromo-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
CID 102948479
1-[3-methoxy-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol
CID 114621610
N-methyl-1-[5-methyl-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanamine
CID 114621113
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
1-[3-fluoro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]-N-methylethanamine
CID 114621180
(1S)-1-(2-cycloheptyloxy-5-fluorophenyl)ethanol
CID 82929051
3-[2-(3-chloroprop-1-ynyl)-5-fluorophenoxy]-2,2,5,5-tetramethyloxolane
CID 114623612
(2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622030
3-[4-(chloromethyl)-2-fluorophenoxy]-2,2,5,5-tetramethyloxolane
CID 107691461
1-[2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-amine
CID 114621071
3-(5-bromo-2,3-difluorophenoxy)-2,2,5,5-tetramethyloxolane
CID 107098657

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol?
The IUPAC name of (1R)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol (CID 104940321) is (1R)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol.
What is the SMILES notation for (1R)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol?
The canonical SMILES for (1R)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol is C[C@@H](O)c1cc(F)ccc1OC1CC(C)(C)OC1(C)C.
What is the InChIKey of (1R)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol?
The InChIKey is YVPOQLPVGNJYLN-IAPIXIRKSA-N. The full InChI is InChI=1S/C16H23FO3/c1-10(18)12-8-11(17)6-7-13(12)19-14-9-15(2,3)20-16(14,4)5/h6-8,10,14,18H,9H2,1-5H3/t10-,14?/m1/s1.
What are the key properties of (1R)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol?
(1R)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol has a molecular weight of 282.36 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]ethanol is sourced from PubChem (CID 104940321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).