2,6-dimethoxy-4-(5-methyl-1H-imidazol-2-yl)phenol

C12H14N2O3 — CID 154667095

IUPAC2,6-dimethoxy-4-(5-methyl-1H-imidazol-2-yl)phenol
SMILESCOc1cc(-c2ncc(C)[nH]2)cc(OC)c1O
InChIInChI=1S/C12H14N2O3/c1-7-6-13-12(14-7)8-4-9(16-2)11(15)10(5-8)17-3/h4-6,15H,1-3H3,(H,13,14)
InChIKeyHQPQNQPNXAPQMU-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.11
Rot. Bonds3

About 2,6-dimethoxy-4-(5-methyl-1H-imidazol-2-yl)phenol

2,6-dimethoxy-4-(5-methyl-1H-imidazol-2-yl)phenol (PubChem CID 154667095) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2,6-dimethoxy-4-(5-methyl-1H-imidazol-2-yl)phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-(5-methyl-1H-imidazol-2-yl)phenol
PubChem CID154667095
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2,6-dimethoxy-4-(5-methyl-1H-imidazol-2-yl)phenol
SMILESCOc1cc(-c2ncc(C)[nH]2)cc(OC)c1O
InChIInChI=1S/C12H14N2O3/c1-7-6-13-12(14-7)8-4-9(16-2)11(15)10(5-8)17-3/h4-6,15H,1-3H3,(H,13,14)
InChIKeyHQPQNQPNXAPQMU-UHFFFAOYSA-N
XLogP2.11
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-(5-methyl-1H-imidazol-2-yl)phenol?
The IUPAC name of 2,6-dimethoxy-4-(5-methyl-1H-imidazol-2-yl)phenol (CID 154667095) is 2,6-dimethoxy-4-(5-methyl-1H-imidazol-2-yl)phenol.
What is the SMILES notation for 2,6-dimethoxy-4-(5-methyl-1H-imidazol-2-yl)phenol?
The canonical SMILES for 2,6-dimethoxy-4-(5-methyl-1H-imidazol-2-yl)phenol is COc1cc(-c2ncc(C)[nH]2)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-(5-methyl-1H-imidazol-2-yl)phenol?
The InChIKey is HQPQNQPNXAPQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7-6-13-12(14-7)8-4-9(16-2)11(15)10(5-8)17-3/h4-6,15H,1-3H3,(H,13,14).
What are the key properties of 2,6-dimethoxy-4-(5-methyl-1H-imidazol-2-yl)phenol?
2,6-dimethoxy-4-(5-methyl-1H-imidazol-2-yl)phenol has a molecular weight of 234.25 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-(5-methyl-1H-imidazol-2-yl)phenol is sourced from PubChem (CID 154667095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).