3-methyl-4-(2-methylimidazol-1-yl)phenol

C11H12N2O — CID 65313636

IUPAC3-methyl-4-(2-methylimidazol-1-yl)phenol
SMILESCc1cc(O)ccc1-n1ccnc1C
InChIInChI=1S/C11H12N2O/c1-8-7-10(14)3-4-11(8)13-6-5-12-9(13)2/h3-7,14H,1-2H3
InChIKeyVVXNZRQMKSFVGD-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.19
Rot. Bonds1

About 3-methyl-4-(2-methylimidazol-1-yl)phenol

3-methyl-4-(2-methylimidazol-1-yl)phenol (PubChem CID 65313636) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-methyl-4-(2-methylimidazol-1-yl)phenol.

Molecular Properties

Compound Name3-methyl-4-(2-methylimidazol-1-yl)phenol
PubChem CID65313636
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-methyl-4-(2-methylimidazol-1-yl)phenol
SMILESCc1cc(O)ccc1-n1ccnc1C
InChIInChI=1S/C11H12N2O/c1-8-7-10(14)3-4-11(8)13-6-5-12-9(13)2/h3-7,14H,1-2H3
InChIKeyVVXNZRQMKSFVGD-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methylimidazol-1-yl)phenol?
The IUPAC name of 3-methyl-4-(2-methylimidazol-1-yl)phenol (CID 65313636) is 3-methyl-4-(2-methylimidazol-1-yl)phenol.
What is the SMILES notation for 3-methyl-4-(2-methylimidazol-1-yl)phenol?
The canonical SMILES for 3-methyl-4-(2-methylimidazol-1-yl)phenol is Cc1cc(O)ccc1-n1ccnc1C.
What is the InChIKey of 3-methyl-4-(2-methylimidazol-1-yl)phenol?
The InChIKey is VVXNZRQMKSFVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8-7-10(14)3-4-11(8)13-6-5-12-9(13)2/h3-7,14H,1-2H3.
What are the key properties of 3-methyl-4-(2-methylimidazol-1-yl)phenol?
3-methyl-4-(2-methylimidazol-1-yl)phenol has a molecular weight of 188.23 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methylimidazol-1-yl)phenol is sourced from PubChem (CID 65313636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).