(1R)-1-[2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol

C14H17FN2O2 — CID 107720209

IUPAC(1R)-1-[2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(OCCc2nccn2C)cc1F
InChIInChI=1S/C14H17FN2O2/c1-10(18)12-4-3-11(9-13(12)15)19-8-5-14-16-6-7-17(14)2/h3-4,6-7,9-10,18H,5,8H2,1-2H3/t10-/m1/s1
InChIKeyJLEWURHSAAQCGC-SNVBAGLBSA-N
MW264.30 g/mol
LogP2.23
Rot. Bonds5

About (1R)-1-[2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol

(1R)-1-[2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol (PubChem CID 107720209) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is (1R)-1-[2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
PubChem CID107720209
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name(1R)-1-[2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(OCCc2nccn2C)cc1F
InChIInChI=1S/C14H17FN2O2/c1-10(18)12-4-3-11(9-13(12)15)19-8-5-14-16-6-7-17(14)2/h3-4,6-7,9-10,18H,5,8H2,1-2H3/t10-/m1/s1
InChIKeyJLEWURHSAAQCGC-SNVBAGLBSA-N
XLogP2.23
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[4-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
CID 104934285
(1R)-1-[2-fluoro-4-(2-pyridin-2-ylethoxy)phenyl]ethanol
CID 107720301
1-(2-fluoro-4-propoxyphenyl)ethanol
CID 107719521
4-[2-(1-methylimidazol-2-yl)ethoxy]phenol
CID 114528497
(1S)-1-[2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanol
CID 107720305
(1S)-1-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]ethanol
CID 107720404
(1S)-1-[2-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 107720623
1-[4-[2-(4-bromophenoxy)ethoxy]-2-fluorophenyl]ethanol
CID 107719528
(1R)-1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanol
CID 107720300
(1R)-1-[4-(3,3-dimethylbutoxy)-2-fluorophenyl]ethanol
CID 107719914
(1S)-1-[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
CID 104934275
(1R)-1-[2-fluoro-4-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 107720035

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol (CID 107720209) is (1R)-1-[2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol is C[C@@H](O)c1ccc(OCCc2nccn2C)cc1F.
What is the InChIKey of (1R)-1-[2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol?
The InChIKey is JLEWURHSAAQCGC-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-10(18)12-4-3-11(9-13(12)15)19-8-5-14-16-6-7-17(14)2/h3-4,6-7,9-10,18H,5,8H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol?
(1R)-1-[2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol has a molecular weight of 264.30 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol is sourced from PubChem (CID 107720209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).