(1R)-1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol

C12H12FNO2S — CID 55188831

IUPAC(1R)-1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(F)cc1OCc1cscn1
InChIInChI=1S/C12H12FNO2S/c1-8(15)11-3-2-9(13)4-12(11)16-5-10-6-17-7-14-10/h2-4,6-8,15H,5H2,1H3/t8-/m1/s1
InChIKeyYFTRADCFKHZOKD-MRVPVSSYSA-N
MW253.30 g/mol
LogP2.91
Rot. Bonds4

About (1R)-1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol

(1R)-1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol (PubChem CID 55188831) has the molecular formula C12H12FNO2S and a molecular weight of 253.30 g/mol. Its IUPAC name is (1R)-1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
PubChem CID55188831
Molecular FormulaC12H12FNO2S
Molecular Weight253.30 g/mol
Exact Mass253.06
IUPAC Name(1R)-1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(F)cc1OCc1cscn1
InChIInChI=1S/C12H12FNO2S/c1-8(15)11-3-2-9(13)4-12(11)16-5-10-6-17-7-14-10/h2-4,6-8,15H,5H2,1H3/t8-/m1/s1
InChIKeyYFTRADCFKHZOKD-MRVPVSSYSA-N
XLogP2.91
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
CID 78931487
1-[4-fluoro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
CID 107043841
(1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63366143
1-[2-[(2,6-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 114930534
(1S)-1-[4-fluoro-2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 78932617
(1S)-1-[4-fluoro-2-(thiophen-2-ylmethoxy)phenyl]ethanol
CID 78932180
1-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
CID 43503800
1-[4-fluoro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanol
CID 63068020
1-[5-fluoro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]phenyl]ethanol
CID 55013782
(1S)-1-(4-fluoro-2-pentoxyphenyl)ethanol
CID 78932382
1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63068032
5-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 78932245

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol (CID 55188831) is (1R)-1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol is C[C@@H](O)c1ccc(F)cc1OCc1cscn1.
What is the InChIKey of (1R)-1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol?
The InChIKey is YFTRADCFKHZOKD-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H12FNO2S/c1-8(15)11-3-2-9(13)4-12(11)16-5-10-6-17-7-14-10/h2-4,6-8,15H,5H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol?
(1R)-1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol has a molecular weight of 253.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-fluoro-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 55188831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).