2-methyl-4-(methyliminomethyl)phenol

C9H11NO — CID 137125843

IUPAC2-methyl-4-(methyliminomethyl)phenol
SMILESC/N=C/c1ccc(O)c(C)c1
InChIInChI=1S/C9H11NO/c1-7-5-8(6-10-2)3-4-9(7)11/h3-6,11H,1-2H3/b10-6+
InChIKeyOQOMRTYQUXHDQK-UXBLZVDNSA-N
MW149.19 g/mol
LogP1.75
Rot. Bonds1

About 2-methyl-4-(methyliminomethyl)phenol

2-methyl-4-(methyliminomethyl)phenol (PubChem CID 137125843) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-methyl-4-(methyliminomethyl)phenol.

Molecular Properties

Compound Name2-methyl-4-(methyliminomethyl)phenol
PubChem CID137125843
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2-methyl-4-(methyliminomethyl)phenol
SMILESC/N=C/c1ccc(O)c(C)c1
InChIInChI=1S/C9H11NO/c1-7-5-8(6-10-2)3-4-9(7)11/h3-6,11H,1-2H3/b10-6+
InChIKeyOQOMRTYQUXHDQK-UXBLZVDNSA-N
XLogP1.75
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(methyliminomethyl)phenol?
The IUPAC name of 2-methyl-4-(methyliminomethyl)phenol (CID 137125843) is 2-methyl-4-(methyliminomethyl)phenol.
What is the SMILES notation for 2-methyl-4-(methyliminomethyl)phenol?
The canonical SMILES for 2-methyl-4-(methyliminomethyl)phenol is C/N=C/c1ccc(O)c(C)c1.
What is the InChIKey of 2-methyl-4-(methyliminomethyl)phenol?
The InChIKey is OQOMRTYQUXHDQK-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H11NO/c1-7-5-8(6-10-2)3-4-9(7)11/h3-6,11H,1-2H3/b10-6+.
What are the key properties of 2-methyl-4-(methyliminomethyl)phenol?
2-methyl-4-(methyliminomethyl)phenol has a molecular weight of 149.19 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(methyliminomethyl)phenol is sourced from PubChem (CID 137125843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).