(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanol

C13H14ClFN2O2 — CID 78932255

IUPAC(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanol
SMILESC[C@H](O)c1ccc(F)cc1OCc1ncc(Cl)n1C
InChIInChI=1S/C13H14ClFN2O2/c1-8(18)10-4-3-9(15)5-11(10)19-7-13-16-6-12(14)17(13)2/h3-6,8,18H,7H2,1-2H3/t8-/m0/s1
InChIKeyKPVRFVDCAXHCLP-QMMMGPOBSA-N
MW284.72 g/mol
LogP2.84
Rot. Bonds4

About (1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanol

(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanol (PubChem CID 78932255) has the molecular formula C13H14ClFN2O2 and a molecular weight of 284.72 g/mol. Its IUPAC name is (1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanol
PubChem CID78932255
Molecular FormulaC13H14ClFN2O2
Molecular Weight284.72 g/mol
Exact Mass284.07
IUPAC Name(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanol
SMILESC[C@H](O)c1ccc(F)cc1OCc1ncc(Cl)n1C
InChIInChI=1S/C13H14ClFN2O2/c1-8(18)10-4-3-9(15)5-11(10)19-7-13-16-6-12(14)17(13)2/h3-6,8,18H,7H2,1-2H3/t8-/m0/s1
InChIKeyKPVRFVDCAXHCLP-QMMMGPOBSA-N
XLogP2.84
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine
CID 78936109
(1S)-1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 102949040
(1S)-1-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-4-fluorophenyl]ethanol
CID 78932436
1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63068032
(1R)-1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 55191142
1-[4-fluoro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
CID 107043841
1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]-N-methylethanamine
CID 102947322
(1S)-1-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63366143
(1R)-1-[4-fluoro-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol
CID 79027030
(1S)-1-[2-[(2-chloro-3-fluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 103954698
N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 107696313
1-[2-[(2,6-difluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 114930534

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanol (CID 78932255) is (1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanol is C[C@H](O)c1ccc(F)cc1OCc1ncc(Cl)n1C.
What is the InChIKey of (1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanol?
The InChIKey is KPVRFVDCAXHCLP-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H14ClFN2O2/c1-8(18)10-4-3-9(15)5-11(10)19-7-13-16-6-12(14)17(13)2/h3-6,8,18H,7H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanol?
(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanol has a molecular weight of 284.72 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanol is sourced from PubChem (CID 78932255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).