(1R)-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanol

C12H15FO3 — CID 63557560

IUPAC(1R)-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(F)cc1OC1CCOC1
InChIInChI=1S/C12H15FO3/c1-8(14)11-3-2-9(13)6-12(11)16-10-4-5-15-7-10/h2-3,6,8,10,14H,4-5,7H2,1H3/t8-,10?/m1/s1
InChIKeyNWKLRHKTKMJUQJ-HNHGDDPOSA-N
MW226.25 g/mol
LogP2.05
Rot. Bonds3

About (1R)-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanol

(1R)-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanol (PubChem CID 63557560) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is (1R)-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanol
PubChem CID63557560
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name(1R)-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(F)cc1OC1CCOC1
InChIInChI=1S/C12H15FO3/c1-8(14)11-3-2-9(13)6-12(11)16-10-4-5-15-7-10/h2-3,6,8,10,14H,4-5,7H2,1H3/t8-,10?/m1/s1
InChIKeyNWKLRHKTKMJUQJ-HNHGDDPOSA-N
XLogP2.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-N-methylethanamine
CID 63556776
1-[2-(oxolan-3-yloxy)phenyl]ethanol
CID 63558983
N-ethyl-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556969
3-(4-fluoro-2-propan-2-ylphenoxy)oxolane
CID 164786398
1-(2-cyclohexyloxy-4-fluorophenyl)ethanol
CID 63067859
(1R)-1-[4-methyl-2-(oxan-3-yloxy)phenyl]ethanol
CID 107135084
1-[4-bromo-2-(oxan-3-yloxy)phenyl]ethanol
CID 107135111
1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanol
CID 63935425
(3S)-3-(2-bromo-5-fluorophenoxy)oxolane
CID 118590561
1-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol
CID 117349251
3-(5-fluoro-2-methylphenoxy)oxane
CID 107137933
(1R)-1-[2-fluoro-6-(oxolan-3-yloxy)phenyl]ethanamine
CID 63559068

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanol (CID 63557560) is (1R)-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanol is C[C@@H](O)c1ccc(F)cc1OC1CCOC1.
What is the InChIKey of (1R)-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanol?
The InChIKey is NWKLRHKTKMJUQJ-HNHGDDPOSA-N. The full InChI is InChI=1S/C12H15FO3/c1-8(14)11-3-2-9(13)6-12(11)16-10-4-5-15-7-10/h2-3,6,8,10,14H,4-5,7H2,1H3/t8-,10?/m1/s1.
What are the key properties of (1R)-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanol?
(1R)-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanol has a molecular weight of 226.25 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanol is sourced from PubChem (CID 63557560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).