4-[2-(hydroxymethyl)-1-methylimidazol-4-yl]oxy-2,3,6-trimethylphenol

C14H18N2O3 — CID 54138538

IUPAC4-[2-(hydroxymethyl)-1-methylimidazol-4-yl]oxy-2,3,6-trimethylphenol
SMILESCc1cc(Oc2cn(C)c(CO)n2)c(C)c(C)c1O
InChIInChI=1S/C14H18N2O3/c1-8-5-11(9(2)10(3)14(8)18)19-13-6-16(4)12(7-17)15-13/h5-6,17-18H,7H2,1-4H3
InChIKeyNZKWPNRERQQFGB-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.34
Rot. Bonds3

About 4-[2-(hydroxymethyl)-1-methylimidazol-4-yl]oxy-2,3,6-trimethylphenol

4-[2-(hydroxymethyl)-1-methylimidazol-4-yl]oxy-2,3,6-trimethylphenol (PubChem CID 54138538) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)-1-methylimidazol-4-yl]oxy-2,3,6-trimethylphenol.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)-1-methylimidazol-4-yl]oxy-2,3,6-trimethylphenol
PubChem CID54138538
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-[2-(hydroxymethyl)-1-methylimidazol-4-yl]oxy-2,3,6-trimethylphenol
SMILESCc1cc(Oc2cn(C)c(CO)n2)c(C)c(C)c1O
InChIInChI=1S/C14H18N2O3/c1-8-5-11(9(2)10(3)14(8)18)19-13-6-16(4)12(7-17)15-13/h5-6,17-18H,7H2,1-4H3
InChIKeyNZKWPNRERQQFGB-UHFFFAOYSA-N
XLogP2.34
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxy-1-methylimidazol-2-yl)methanol
CID 57005292
4-(7-hydroxyheptoxy)-2,3,6-trimethylphenol
CID 10659422
2,3,6-trimethyl-4-(3-methylphenoxy)phenol
CID 18994518
4-(2-bromoethoxy)-2,3,6-trimethylphenol
CID 10539183
[2,3,6-trimethyl-4-(1-methylimidazol-4-yl)oxyphenyl] acetate
CID 54200544
4-[2-(2-hydroxyethylsulfanyl)ethoxy]-2,3,6-trimethylphenol
CID 139840536
2-(4-hydroxy-3,5-dimethylphenyl)-1-methylimidazol-4-ol
CID 136827210
(1-methyl-4-prop-1-en-2-ylimidazol-2-yl)methanol
CID 123594055
ethane;2,5,7-trimethylindazol-6-ol
CID 162433004
2-(4-hydroxy-2,3,5-trimethylphenoxy)propanoic acid
CID 4129569
2-(hydroxymethyl)-3,5-dimethylbenzene-1,4-diol
CID 59638979
4-(benzhydrylsilylmethoxy)-2,3,6-trimethylphenol
CID 159530954

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)-1-methylimidazol-4-yl]oxy-2,3,6-trimethylphenol?
The IUPAC name of 4-[2-(hydroxymethyl)-1-methylimidazol-4-yl]oxy-2,3,6-trimethylphenol (CID 54138538) is 4-[2-(hydroxymethyl)-1-methylimidazol-4-yl]oxy-2,3,6-trimethylphenol.
What is the SMILES notation for 4-[2-(hydroxymethyl)-1-methylimidazol-4-yl]oxy-2,3,6-trimethylphenol?
The canonical SMILES for 4-[2-(hydroxymethyl)-1-methylimidazol-4-yl]oxy-2,3,6-trimethylphenol is Cc1cc(Oc2cn(C)c(CO)n2)c(C)c(C)c1O.
What is the InChIKey of 4-[2-(hydroxymethyl)-1-methylimidazol-4-yl]oxy-2,3,6-trimethylphenol?
The InChIKey is NZKWPNRERQQFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-8-5-11(9(2)10(3)14(8)18)19-13-6-16(4)12(7-17)15-13/h5-6,17-18H,7H2,1-4H3.
What are the key properties of 4-[2-(hydroxymethyl)-1-methylimidazol-4-yl]oxy-2,3,6-trimethylphenol?
4-[2-(hydroxymethyl)-1-methylimidazol-4-yl]oxy-2,3,6-trimethylphenol has a molecular weight of 262.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)-1-methylimidazol-4-yl]oxy-2,3,6-trimethylphenol is sourced from PubChem (CID 54138538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).