(1S)-1-[5-fluoro-2-[4-(hydroxymethyl)phenoxy]phenyl]ethanol

C15H15FO3 — CID 55185417

IUPAC(1S)-1-[5-fluoro-2-[4-(hydroxymethyl)phenoxy]phenyl]ethanol
SMILESC[C@H](O)c1cc(F)ccc1Oc1ccc(CO)cc1
InChIInChI=1S/C15H15FO3/c1-10(18)14-8-12(16)4-7-15(14)19-13-5-2-11(9-17)3-6-13/h2-8,10,17-18H,9H2,1H3/t10-/m0/s1
InChIKeyWCFZSUPOZSCOSQ-JTQLQIEISA-N
MW262.28 g/mol
LogP3.16
Rot. Bonds4

About (1S)-1-[5-fluoro-2-[4-(hydroxymethyl)phenoxy]phenyl]ethanol

(1S)-1-[5-fluoro-2-[4-(hydroxymethyl)phenoxy]phenyl]ethanol (PubChem CID 55185417) has the molecular formula C15H15FO3 and a molecular weight of 262.28 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-2-[4-(hydroxymethyl)phenoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-2-[4-(hydroxymethyl)phenoxy]phenyl]ethanol
PubChem CID55185417
Molecular FormulaC15H15FO3
Molecular Weight262.28 g/mol
Exact Mass262.10
IUPAC Name(1S)-1-[5-fluoro-2-[4-(hydroxymethyl)phenoxy]phenyl]ethanol
SMILESC[C@H](O)c1cc(F)ccc1Oc1ccc(CO)cc1
InChIInChI=1S/C15H15FO3/c1-10(18)14-8-12(16)4-7-15(14)19-13-5-2-11(9-17)3-6-13/h2-8,10,17-18H,9H2,1H3/t10-/m0/s1
InChIKeyWCFZSUPOZSCOSQ-JTQLQIEISA-N
XLogP3.16
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]phenyl]methanol
CID 55182628
(1S)-1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol
CID 78938709
(1R)-1-(5-fluoro-2-phenoxyphenyl)ethanol
CID 78941630
(1S)-1-[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]ethanol
CID 83141129
1-[5-fluoro-2-(3-methylphenoxy)phenyl]ethanol
CID 43506465
(1R)-1-[5-fluoro-2-(3-iodophenoxy)phenyl]ethanol
CID 63372402
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
(1S)-1-[2-(2-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanol
CID 55184876
(1S)-1-[2-[3-(dimethylamino)phenoxy]-5-fluorophenyl]ethanol
CID 78941855
(1S)-1-[2-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]ethanol
CID 78996799
(1R)-1-[3-chloro-4-[4-(hydroxymethyl)phenoxy]phenyl]ethanol
CID 63374564
(1R)-1-[2-(2-butan-2-ylphenoxy)-5-fluorophenyl]ethanol
CID 63541276

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-fluoro-2-[4-(hydroxymethyl)phenoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[5-fluoro-2-[4-(hydroxymethyl)phenoxy]phenyl]ethanol (CID 55185417) is (1S)-1-[5-fluoro-2-[4-(hydroxymethyl)phenoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-fluoro-2-[4-(hydroxymethyl)phenoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-fluoro-2-[4-(hydroxymethyl)phenoxy]phenyl]ethanol is C[C@H](O)c1cc(F)ccc1Oc1ccc(CO)cc1.
What is the InChIKey of (1S)-1-[5-fluoro-2-[4-(hydroxymethyl)phenoxy]phenyl]ethanol?
The InChIKey is WCFZSUPOZSCOSQ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15FO3/c1-10(18)14-8-12(16)4-7-15(14)19-13-5-2-11(9-17)3-6-13/h2-8,10,17-18H,9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[5-fluoro-2-[4-(hydroxymethyl)phenoxy]phenyl]ethanol?
(1S)-1-[5-fluoro-2-[4-(hydroxymethyl)phenoxy]phenyl]ethanol has a molecular weight of 262.28 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-fluoro-2-[4-(hydroxymethyl)phenoxy]phenyl]ethanol is sourced from PubChem (CID 55185417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).