(1S)-1-[3-fluoro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol

C13H15FN2O2 — CID 113389690

IUPAC(1S)-1-[3-fluoro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol
SMILESC[C@H](O)c1ccc(OCc2nccn2C)c(F)c1
InChIInChI=1S/C13H15FN2O2/c1-9(17)10-3-4-12(11(14)7-10)18-8-13-15-5-6-16(13)2/h3-7,9,17H,8H2,1-2H3/t9-/m0/s1
InChIKeyXEJRDMXPZFERDF-VIFPVBQESA-N
MW250.27 g/mol
LogP2.19
Rot. Bonds4

About (1S)-1-[3-fluoro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol

(1S)-1-[3-fluoro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol (PubChem CID 113389690) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is (1S)-1-[3-fluoro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-fluoro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol
PubChem CID113389690
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name(1S)-1-[3-fluoro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol
SMILESC[C@H](O)c1ccc(OCc2nccn2C)c(F)c1
InChIInChI=1S/C13H15FN2O2/c1-9(17)10-3-4-12(11(14)7-10)18-8-13-15-5-6-16(13)2/h3-7,9,17H,8H2,1-2H3/t9-/m0/s1
InChIKeyXEJRDMXPZFERDF-VIFPVBQESA-N
XLogP2.19
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[3-fluoro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 113389649
(1S)-1-[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 55191286
(1S)-1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
CID 104934213
1-[3-methyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
CID 114528382
1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]-N-methylethanamine
CID 114527299
1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 115582207
(1S)-1-[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
CID 104934275
1-(4-butoxy-3-fluorophenyl)ethanol
CID 91636248
1-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 113389598
(1R)-1-[3-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102881645
(1S)-1-[3-fluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol
CID 103003611
1-[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 115582214

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-fluoro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[3-fluoro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol (CID 113389690) is (1S)-1-[3-fluoro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-fluoro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-fluoro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol is C[C@H](O)c1ccc(OCc2nccn2C)c(F)c1.
What is the InChIKey of (1S)-1-[3-fluoro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol?
The InChIKey is XEJRDMXPZFERDF-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-9(17)10-3-4-12(11(14)7-10)18-8-13-15-5-6-16(13)2/h3-7,9,17H,8H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[3-fluoro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol?
(1S)-1-[3-fluoro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol has a molecular weight of 250.27 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-fluoro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 113389690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).