3-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylphenol

C12H13ClN2O2 — CID 43144116

IUPAC3-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylphenol
SMILESCc1c(O)cccc1OCc1ncc(Cl)n1C
InChIInChI=1S/C12H13ClN2O2/c1-8-9(16)4-3-5-10(8)17-7-12-14-6-11(13)15(12)2/h3-6,16H,7H2,1-2H3
InChIKeyQZRRZLFSDHRUGE-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.67
Rot. Bonds3

About 3-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylphenol

3-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylphenol (PubChem CID 43144116) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 3-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylphenol.

Molecular Properties

Compound Name3-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylphenol
PubChem CID43144116
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name3-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylphenol
SMILESCc1c(O)cccc1OCc1ncc(Cl)n1C
InChIInChI=1S/C12H13ClN2O2/c1-8-9(16)4-3-5-10(8)17-7-12-14-6-11(13)15(12)2/h3-6,16H,7H2,1-2H3
InChIKeyQZRRZLFSDHRUGE-UHFFFAOYSA-N
XLogP2.67
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-3-[(5-chloro-1-methylimidazol-2-yl)methoxy]pyridine
CID 64983187
(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]propan-1-amine
CID 78932860
N-[[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 63063923
5-chloro-2-[(4-fluorophenoxy)methyl]-1-methylimidazole
CID 60667995
2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-ethoxybenzoic acid
CID 43174579
(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanol
CID 78932255
[3-bromo-4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methanol
CID 63051976
1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-methylphenyl]ethanamine
CID 60887486
4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-fluorobenzoic acid
CID 107689823
N-[[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 60881637
(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

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylphenol?
The IUPAC name of 3-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylphenol (CID 43144116) is 3-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylphenol.
What is the SMILES notation for 3-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylphenol?
The canonical SMILES for 3-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylphenol is Cc1c(O)cccc1OCc1ncc(Cl)n1C.
What is the InChIKey of 3-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylphenol?
The InChIKey is QZRRZLFSDHRUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-8-9(16)4-3-5-10(8)17-7-12-14-6-11(13)15(12)2/h3-6,16H,7H2,1-2H3.
What are the key properties of 3-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylphenol?
3-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylphenol has a molecular weight of 252.70 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylphenol is sourced from PubChem (CID 43144116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).