2-[(2,3-dimethylimidazol-4-yl)methoxy]phenol

C12H14N2O2 — CID 117192761

IUPAC2-[(2,3-dimethylimidazol-4-yl)methoxy]phenol
SMILESCc1ncc(COc2ccccc2O)n1C
InChIInChI=1S/C12H14N2O2/c1-9-13-7-10(14(9)2)8-16-12-6-4-3-5-11(12)15/h3-7,15H,8H2,1-2H3
InChIKeyKXWXHCJVALQXAO-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.01
Rot. Bonds3

About 2-[(2,3-dimethylimidazol-4-yl)methoxy]phenol

2-[(2,3-dimethylimidazol-4-yl)methoxy]phenol (PubChem CID 117192761) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[(2,3-dimethylimidazol-4-yl)methoxy]phenol.

Molecular Properties

Compound Name2-[(2,3-dimethylimidazol-4-yl)methoxy]phenol
PubChem CID117192761
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-[(2,3-dimethylimidazol-4-yl)methoxy]phenol
SMILESCc1ncc(COc2ccccc2O)n1C
InChIInChI=1S/C12H14N2O2/c1-9-13-7-10(14(9)2)8-16-12-6-4-3-5-11(12)15/h3-7,15H,8H2,1-2H3
InChIKeyKXWXHCJVALQXAO-UHFFFAOYSA-N
XLogP2.01
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-bromophenoxy)methyl]-1,2-dimethylimidazole
CID 117192754
2-[(2-methyl-3-propan-2-ylimidazol-4-yl)methoxy]phenol
CID 117193031
CID 166089440
CID 166089440
5-[(2-hydroxyphenoxy)methyl]-1-methylpyrazole-3-carboxylic acid
CID 117217155
3-[(2-hydroxyphenoxy)methyl]-1-methylindol-4-ol
CID 117171302
2-[(5-bromo-1,3-oxazol-2-yl)methoxy]phenol
CID 117187926
2-[(2-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid
CID 117173539
3-[(5-chloro-1-methylimidazol-2-yl)methoxy]-2-methylphenol
CID 43144116
methyl 2-(2,3-dimethylimidazol-4-yl)acetate
CID 146238760
2-[(5-methylfuran-2-yl)methoxy]phenol
CID 43143474
2-[(2-bromo-1,3-thiazol-5-yl)methoxy]phenol
CID 117192622
2-[(2-hydroxyphenoxy)methyl]-1-methylimidazole-4-carboxylic acid
CID 117187276

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylimidazol-4-yl)methoxy]phenol?
The IUPAC name of 2-[(2,3-dimethylimidazol-4-yl)methoxy]phenol (CID 117192761) is 2-[(2,3-dimethylimidazol-4-yl)methoxy]phenol.
What is the SMILES notation for 2-[(2,3-dimethylimidazol-4-yl)methoxy]phenol?
The canonical SMILES for 2-[(2,3-dimethylimidazol-4-yl)methoxy]phenol is Cc1ncc(COc2ccccc2O)n1C.
What is the InChIKey of 2-[(2,3-dimethylimidazol-4-yl)methoxy]phenol?
The InChIKey is KXWXHCJVALQXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9-13-7-10(14(9)2)8-16-12-6-4-3-5-11(12)15/h3-7,15H,8H2,1-2H3.
What are the key properties of 2-[(2,3-dimethylimidazol-4-yl)methoxy]phenol?
2-[(2,3-dimethylimidazol-4-yl)methoxy]phenol has a molecular weight of 218.26 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylimidazol-4-yl)methoxy]phenol is sourced from PubChem (CID 117192761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).