2,6-dimethoxy-4-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenol

C18H18N2O3 — CID 154667090

IUPAC2,6-dimethoxy-4-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenol
SMILESCOc1cc(-c2ncc(-c3ccc(C)cc3)[nH]2)cc(OC)c1O
InChIInChI=1S/C18H18N2O3/c1-11-4-6-12(7-5-11)14-10-19-18(20-14)13-8-15(22-2)17(21)16(9-13)23-3/h4-10,21H,1-3H3,(H,19,20)
InChIKeyTYLYCXUVQQNNDI-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.77
Rot. Bonds4

About 2,6-dimethoxy-4-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenol

2,6-dimethoxy-4-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenol (PubChem CID 154667090) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenol
PubChem CID154667090
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2,6-dimethoxy-4-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenol
SMILESCOc1cc(-c2ncc(-c3ccc(C)cc3)[nH]2)cc(OC)c1O
InChIInChI=1S/C18H18N2O3/c1-11-4-6-12(7-5-11)14-10-19-18(20-14)13-8-15(22-2)17(21)16(9-13)23-3/h4-10,21H,1-3H3,(H,19,20)
InChIKeyTYLYCXUVQQNNDI-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-(4-methylphenyl)-1H-imidazol-2-yl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenol (CID 154667090) is 2,6-dimethoxy-4-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenol is COc1cc(-c2ncc(-c3ccc(C)cc3)[nH]2)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenol?
The InChIKey is TYLYCXUVQQNNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11-4-6-12(7-5-11)14-10-19-18(20-14)13-8-15(22-2)17(21)16(9-13)23-3/h4-10,21H,1-3H3,(H,19,20).
What are the key properties of 2,6-dimethoxy-4-[5-(4-methylphenyl)-1H-imidazol-2-yl]phenol?
2,6-dimethoxy-4-[5-(4-methylphenyl)-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-(4-methylphenyl)-1H-imidazol-2-yl]phenol is sourced from PubChem (CID 154667090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).