(1S)-1-[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol

C13H15ClN2O2 — CID 55191286

IUPAC(1S)-1-[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol
SMILESC[C@H](O)c1cc(Cl)ccc1OCc1nccn1C
InChIInChI=1S/C13H15ClN2O2/c1-9(17)11-7-10(14)3-4-12(11)18-8-13-15-5-6-16(13)2/h3-7,9,17H,8H2,1-2H3/t9-/m0/s1
InChIKeyREZKQXLJXSOLGU-VIFPVBQESA-N
MW266.73 g/mol
LogP2.71
Rot. Bonds4

About (1S)-1-[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol

(1S)-1-[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol (PubChem CID 55191286) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is (1S)-1-[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol
PubChem CID55191286
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name(1S)-1-[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol
SMILESC[C@H](O)c1cc(Cl)ccc1OCc1nccn1C
InChIInChI=1S/C13H15ClN2O2/c1-9(17)11-7-10(14)3-4-12(11)18-8-13-15-5-6-16(13)2/h3-7,9,17H,8H2,1-2H3/t9-/m0/s1
InChIKeyREZKQXLJXSOLGU-VIFPVBQESA-N
XLogP2.71
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[5-chloro-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanol
CID 63364536
1-[5-chloro-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanol
CID 62072724
N-[[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 63056031
(1S)-1-[3-fluoro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 113389690
(1R)-1-[3-fluoro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 113389649
[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
CID 60880022
(1R)-1-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
CID 104934191
(1S)-1-[5-chloro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
CID 107043853
1-[5-chloro-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanol
CID 107043835
(1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol
CID 78944605
1-[5-chloro-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 112650649
1-[5-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanol
CID 55031218

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol (CID 55191286) is (1S)-1-[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol is C[C@H](O)c1cc(Cl)ccc1OCc1nccn1C.
What is the InChIKey of (1S)-1-[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol?
The InChIKey is REZKQXLJXSOLGU-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-9(17)11-7-10(14)3-4-12(11)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-[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol?
(1S)-1-[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol has a molecular weight of 266.73 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 55191286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).