2-hydroxy-3-methylbenzaldehyde;1-methylimidazole

C12H14N2O2 — CID 130247486

IUPAC2-hydroxy-3-methylbenzaldehyde;1-methylimidazole
SMILESCc1cccc(C=O)c1O.Cn1ccnc1
InChIInChI=1S/C8H8O2.C4H6N2/c1-6-3-2-4-7(5-9)8(6)10;1-6-3-2-5-4-6/h2-5,10H,1H3;2-4H,1H3
InChIKeyIYMJMIKOQFYNHN-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.93
Rot. Bonds1

About 2-hydroxy-3-methylbenzaldehyde;1-methylimidazole

2-hydroxy-3-methylbenzaldehyde;1-methylimidazole (PubChem CID 130247486) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-hydroxy-3-methylbenzaldehyde;1-methylimidazole.

Molecular Properties

Compound Name2-hydroxy-3-methylbenzaldehyde;1-methylimidazole
PubChem CID130247486
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-hydroxy-3-methylbenzaldehyde;1-methylimidazole
SMILESCc1cccc(C=O)c1O.Cn1ccnc1
InChIInChI=1S/C8H8O2.C4H6N2/c1-6-3-2-4-7(5-9)8(6)10;1-6-3-2-5-4-6/h2-5,10H,1H3;2-4H,1H3
InChIKeyIYMJMIKOQFYNHN-UHFFFAOYSA-N
XLogP1.93
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methylbenzaldehyde;1-methylimidazole?
The IUPAC name of 2-hydroxy-3-methylbenzaldehyde;1-methylimidazole (CID 130247486) is 2-hydroxy-3-methylbenzaldehyde;1-methylimidazole.
What is the SMILES notation for 2-hydroxy-3-methylbenzaldehyde;1-methylimidazole?
The canonical SMILES for 2-hydroxy-3-methylbenzaldehyde;1-methylimidazole is Cc1cccc(C=O)c1O.Cn1ccnc1.
What is the InChIKey of 2-hydroxy-3-methylbenzaldehyde;1-methylimidazole?
The InChIKey is IYMJMIKOQFYNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C4H6N2/c1-6-3-2-4-7(5-9)8(6)10;1-6-3-2-5-4-6/h2-5,10H,1H3;2-4H,1H3.
What are the key properties of 2-hydroxy-3-methylbenzaldehyde;1-methylimidazole?
2-hydroxy-3-methylbenzaldehyde;1-methylimidazole has a molecular weight of 218.26 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methylbenzaldehyde;1-methylimidazole is sourced from PubChem (CID 130247486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).