1-[3-methyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol

C15H20N2O2 — CID 114528382

IUPAC1-[3-methyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
SMILESCc1cc(C(C)O)ccc1OCCc1nccn1C
InChIInChI=1S/C15H20N2O2/c1-11-10-13(12(2)18)4-5-14(11)19-9-6-15-16-7-8-17(15)3/h4-5,7-8,10,12,18H,6,9H2,1-3H3
InChIKeyOEKQTKBSCGVQRC-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.40
Rot. Bonds5

About 1-[3-methyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol

1-[3-methyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol (PubChem CID 114528382) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[3-methyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-methyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
PubChem CID114528382
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[3-methyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
SMILESCc1cc(C(C)O)ccc1OCCc1nccn1C
InChIInChI=1S/C15H20N2O2/c1-11-10-13(12(2)18)4-5-14(11)19-9-6-15-16-7-8-17(15)3/h4-5,7-8,10,12,18H,6,9H2,1-3H3
InChIKeyOEKQTKBSCGVQRC-UHFFFAOYSA-N
XLogP2.40
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[3-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
CID 104934275
(1R)-1-[4-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
CID 104934285
(1R)-1-[3-methyl-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol
CID 103003603
1-(4-methoxy-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529108
(1R)-1-[3-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanol
CID 103003602
(1S)-1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
CID 104934213
(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
1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]-N-methylethanamine
CID 114527299
1-[5-bromo-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine
CID 114530902
(1R)-1-[3-methyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 113387010
(1R)-1-[2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
CID 107720209

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol?
The IUPAC name of 1-[3-methyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol (CID 114528382) is 1-[3-methyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol.
What is the SMILES notation for 1-[3-methyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol?
The canonical SMILES for 1-[3-methyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol is Cc1cc(C(C)O)ccc1OCCc1nccn1C.
What is the InChIKey of 1-[3-methyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol?
The InChIKey is OEKQTKBSCGVQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-10-13(12(2)18)4-5-14(11)19-9-6-15-16-7-8-17(15)3/h4-5,7-8,10,12,18H,6,9H2,1-3H3.
What are the key properties of 1-[3-methyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol?
1-[3-methyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol has a molecular weight of 260.34 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol is sourced from PubChem (CID 114528382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).