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

C18H18N2O3 — CID 154667091

IUPAC2,6-dimethoxy-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenol
SMILESCOc1cc(-c2nc(-c3ccccc3)c(C)[nH]2)cc(OC)c1O
InChIInChI=1S/C18H18N2O3/c1-11-16(12-7-5-4-6-8-12)20-18(19-11)13-9-14(22-2)17(21)15(10-13)23-3/h4-10,21H,1-3H3,(H,19,20)
InChIKeyIYRZINMQJOGXNZ-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.77
Rot. Bonds4

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

2,6-dimethoxy-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenol (PubChem CID 154667091) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2,6-dimethoxy-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenol
PubChem CID154667091
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2,6-dimethoxy-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenol
SMILESCOc1cc(-c2nc(-c3ccccc3)c(C)[nH]2)cc(OC)c1O
InChIInChI=1S/C18H18N2O3/c1-11-16(12-7-5-4-6-8-12)20-18(19-11)13-9-14(22-2)17(21)15(10-13)23-3/h4-10,21H,1-3H3,(H,19,20)
InChIKeyIYRZINMQJOGXNZ-UHFFFAOYSA-N
XLogP3.77
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.77
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-4-phenyl-1H-imidazol-2-yl)phenol?
The IUPAC name of 2,6-dimethoxy-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenol (CID 154667091) is 2,6-dimethoxy-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenol.
What is the SMILES notation for 2,6-dimethoxy-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenol?
The canonical SMILES for 2,6-dimethoxy-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenol is COc1cc(-c2nc(-c3ccccc3)c(C)[nH]2)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenol?
The InChIKey is IYRZINMQJOGXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11-16(12-7-5-4-6-8-12)20-18(19-11)13-9-14(22-2)17(21)15(10-13)23-3/h4-10,21H,1-3H3,(H,19,20).
What are the key properties of 2,6-dimethoxy-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenol?
2,6-dimethoxy-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenol has a molecular weight of 310.35 g/mol, XLogP of 3.77, 4 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-4-phenyl-1H-imidazol-2-yl)phenol is sourced from PubChem (CID 154667091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).