(1S)-1-[2-fluoro-6-(4-propylphenoxy)phenyl]ethanol

C17H19FO2 — CID 78944883

IUPAC(1S)-1-[2-fluoro-6-(4-propylphenoxy)phenyl]ethanol
SMILESCCCc1ccc(Oc2cccc(F)c2[C@H](C)O)cc1
InChIInChI=1S/C17H19FO2/c1-3-5-13-8-10-14(11-9-13)20-16-7-4-6-15(18)17(16)12(2)19/h4,6-12,19H,3,5H2,1-2H3/t12-/m0/s1
InChIKeyYWVDGSKDJKRJLO-LBPRGKRZSA-N
MW274.33 g/mol
LogP4.62
Rot. Bonds5

About (1S)-1-[2-fluoro-6-(4-propylphenoxy)phenyl]ethanol

(1S)-1-[2-fluoro-6-(4-propylphenoxy)phenyl]ethanol (PubChem CID 78944883) has the molecular formula C17H19FO2 and a molecular weight of 274.33 g/mol. Its IUPAC name is (1S)-1-[2-fluoro-6-(4-propylphenoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-fluoro-6-(4-propylphenoxy)phenyl]ethanol
PubChem CID78944883
Molecular FormulaC17H19FO2
Molecular Weight274.33 g/mol
Exact Mass274.14
IUPAC Name(1S)-1-[2-fluoro-6-(4-propylphenoxy)phenyl]ethanol
SMILESCCCc1ccc(Oc2cccc(F)c2[C@H](C)O)cc1
InChIInChI=1S/C17H19FO2/c1-3-5-13-8-10-14(11-9-13)20-16-7-4-6-15(18)17(16)12(2)19/h4,6-12,19H,3,5H2,1-2H3/t12-/m0/s1
InChIKeyYWVDGSKDJKRJLO-LBPRGKRZSA-N
XLogP4.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-fluoro-6-(4-fluorophenoxy)phenyl]ethanol
CID 43506471
[4-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]methanol
CID 78938263
(1S)-1-[2-(3-bromophenoxy)-6-fluorophenyl]ethanol
CID 78941624
(1R)-1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanol
CID 78941643
1-(2-fluoro-6-naphthalen-1-yloxyphenyl)ethanol
CID 43506509
1-(bromomethyl)-3-fluoro-2-(4-propylphenoxy)benzene
CID 114068020
(1R)-1-[2-(4-bromo-3,5-dimethylphenoxy)-6-fluorophenyl]ethanol
CID 107724964
1-[2-fluoro-6-(2-methylphenoxy)phenyl]ethanol
CID 43506466
(1S)-1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 78941712
1-[2-fluoro-6-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 43506529
1-(2,6-difluorophenyl)ethanol
CID 5012075
3-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile
CID 63372254

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-fluoro-6-(4-propylphenoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[2-fluoro-6-(4-propylphenoxy)phenyl]ethanol (CID 78944883) is (1S)-1-[2-fluoro-6-(4-propylphenoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-fluoro-6-(4-propylphenoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-fluoro-6-(4-propylphenoxy)phenyl]ethanol is CCCc1ccc(Oc2cccc(F)c2[C@H](C)O)cc1.
What is the InChIKey of (1S)-1-[2-fluoro-6-(4-propylphenoxy)phenyl]ethanol?
The InChIKey is YWVDGSKDJKRJLO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19FO2/c1-3-5-13-8-10-14(11-9-13)20-16-7-4-6-15(18)17(16)12(2)19/h4,6-12,19H,3,5H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-fluoro-6-(4-propylphenoxy)phenyl]ethanol?
(1S)-1-[2-fluoro-6-(4-propylphenoxy)phenyl]ethanol has a molecular weight of 274.33 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-fluoro-6-(4-propylphenoxy)phenyl]ethanol is sourced from PubChem (CID 78944883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).