4-(1,2-dimethylimidazol-4-yl)phenol

C11H12N2O — CID 138679602

IUPAC4-(1,2-dimethylimidazol-4-yl)phenol
SMILESCc1nc(-c2ccc(O)cc2)cn1C
InChIInChI=1S/C11H12N2O/c1-8-12-11(7-13(8)2)9-3-5-10(14)6-4-9/h3-7,14H,1-2H3
InChIKeyYKXLROMOYJCBAK-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.10
Rot. Bonds1

About 4-(1,2-dimethylimidazol-4-yl)phenol

4-(1,2-dimethylimidazol-4-yl)phenol (PubChem CID 138679602) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-(1,2-dimethylimidazol-4-yl)phenol.

Molecular Properties

Compound Name4-(1,2-dimethylimidazol-4-yl)phenol
PubChem CID138679602
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name4-(1,2-dimethylimidazol-4-yl)phenol
SMILESCc1nc(-c2ccc(O)cc2)cn1C
InChIInChI=1S/C11H12N2O/c1-8-12-11(7-13(8)2)9-3-5-10(14)6-4-9/h3-7,14H,1-2H3
InChIKeyYKXLROMOYJCBAK-UHFFFAOYSA-N
XLogP2.10
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dimethylimidazol-4-yl)phenol?
The IUPAC name of 4-(1,2-dimethylimidazol-4-yl)phenol (CID 138679602) is 4-(1,2-dimethylimidazol-4-yl)phenol.
What is the SMILES notation for 4-(1,2-dimethylimidazol-4-yl)phenol?
The canonical SMILES for 4-(1,2-dimethylimidazol-4-yl)phenol is Cc1nc(-c2ccc(O)cc2)cn1C.
What is the InChIKey of 4-(1,2-dimethylimidazol-4-yl)phenol?
The InChIKey is YKXLROMOYJCBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8-12-11(7-13(8)2)9-3-5-10(14)6-4-9/h3-7,14H,1-2H3.
What are the key properties of 4-(1,2-dimethylimidazol-4-yl)phenol?
4-(1,2-dimethylimidazol-4-yl)phenol has a molecular weight of 188.23 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dimethylimidazol-4-yl)phenol is sourced from PubChem (CID 138679602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).