1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanol

C14H17BrN2O2 — CID 102948379

IUPAC1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanol
SMILESCCn1cncc1COc1cc(Br)ccc1C(C)O
InChIInChI=1S/C14H17BrN2O2/c1-3-17-9-16-7-12(17)8-19-14-6-11(15)4-5-13(14)10(2)18/h4-7,9-10,18H,3,8H2,1-2H3
InChIKeyHEYKWMDXKQGYAF-UHFFFAOYSA-N
MW325.21 g/mol
LogP3.30
Rot. Bonds5

About 1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanol

1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanol (PubChem CID 102948379) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanol
PubChem CID102948379
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanol
SMILESCCn1cncc1COc1cc(Br)ccc1C(C)O
InChIInChI=1S/C14H17BrN2O2/c1-3-17-9-16-7-12(17)8-19-14-6-11(15)4-5-13(14)10(2)18/h4-7,9-10,18H,3,8H2,1-2H3
InChIKeyHEYKWMDXKQGYAF-UHFFFAOYSA-N
XLogP3.30
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 102947375
1-[4-bromo-2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol
CID 102948213
1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 102948377
(1S)-1-[4-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol
CID 102949340
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]ethanol
CID 102948400
1-[4-bromo-2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 102948378
(1S)-1-[4-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102949293
(1S)-1-[4-bromo-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 102949064
1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol
CID 66152313
3-ethoxy-4-[(3-ethylimidazol-4-yl)methoxy]benzoic acid
CID 66152798
(1S)-1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 102949040

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanol (CID 102948379) is 1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanol is CCn1cncc1COc1cc(Br)ccc1C(C)O.
What is the InChIKey of 1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanol?
The InChIKey is HEYKWMDXKQGYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-3-17-9-16-7-12(17)8-19-14-6-11(15)4-5-13(14)10(2)18/h4-7,9-10,18H,3,8H2,1-2H3.
What are the key properties of 1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanol?
1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanol has a molecular weight of 325.21 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 102948379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).