(1R)-1-[4-fluoro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol

C15H19FN2O2 — CID 79027030

IUPAC(1R)-1-[4-fluoro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol
SMILESCC(C)n1cncc1COc1cc(F)ccc1[C@@H](C)O
InChIInChI=1S/C15H19FN2O2/c1-10(2)18-9-17-7-13(18)8-20-15-6-12(16)4-5-14(15)11(3)19/h4-7,9-11,19H,8H2,1-3H3/t11-/m1/s1
InChIKeyIVOQWUUEAGKOTD-LLVKDONJSA-N
MW278.33 g/mol
LogP3.24
Rot. Bonds5

About (1R)-1-[4-fluoro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol

(1R)-1-[4-fluoro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol (PubChem CID 79027030) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is (1R)-1-[4-fluoro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-fluoro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol
PubChem CID79027030
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name(1R)-1-[4-fluoro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol
SMILESCC(C)n1cncc1COc1cc(F)ccc1[C@@H](C)O
InChIInChI=1S/C15H19FN2O2/c1-10(2)18-9-17-7-13(18)8-20-15-6-12(16)4-5-14(15)11(3)19/h4-7,9-11,19H,8H2,1-3H3/t11-/m1/s1
InChIKeyIVOQWUUEAGKOTD-LLVKDONJSA-N
XLogP3.24
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol
CID 66152313
(1R)-1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 55191142
(1R)-1-[4-methoxy-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 82002809
2-methyl-3-[(3-propan-2-ylimidazol-4-yl)methoxy]phenol
CID 66154225
5-[(2-chlorophenoxy)methyl]-1-propan-2-ylimidazole
CID 66154438
(1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63366143
(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanol
CID 78932255
5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1-propan-2-ylimidazole
CID 115402091
1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanol
CID 102948379
3-methoxy-4-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid
CID 66154401
N-[1-[4-fluoro-2-[(3-methylimidazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 66140310
(1S)-1-[4-fluoro-2-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 78932617

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-fluoro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[4-fluoro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol (CID 79027030) is (1R)-1-[4-fluoro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-fluoro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-fluoro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol is CC(C)n1cncc1COc1cc(F)ccc1[C@@H](C)O.
What is the InChIKey of (1R)-1-[4-fluoro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol?
The InChIKey is IVOQWUUEAGKOTD-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-10(2)18-9-17-7-13(18)8-20-15-6-12(16)4-5-14(15)11(3)19/h4-7,9-11,19H,8H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-[4-fluoro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol?
(1R)-1-[4-fluoro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol has a molecular weight of 278.33 g/mol, XLogP of 3.24, 5 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-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 79027030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).