2,4-dimethylbenzaldehyde;2-hydroxy-4-methylbenzaldehyde;methane

C20H30O3 — CID 161019797

IUPAC2,4-dimethylbenzaldehyde;2-hydroxy-4-methylbenzaldehyde;methane
SMILESC.C.C.Cc1ccc(C=O)c(C)c1.Cc1ccc(C=O)c(O)c1
InChIInChI=1S/C9H10O.C8H8O2.3CH4/c1-7-3-4-9(6-10)8(2)5-7;1-6-2-3-7(5-9)8(10)4-6;;;/h3-6H,1-2H3;2-5,10H,1H3;3*1H4
InChIKeyTYFDUQGKXAMZPJ-UHFFFAOYSA-N
MW318.46 g/mol
LogP5.54
Rot. Bonds2

About 2,4-dimethylbenzaldehyde;2-hydroxy-4-methylbenzaldehyde;methane

2,4-dimethylbenzaldehyde;2-hydroxy-4-methylbenzaldehyde;methane (PubChem CID 161019797) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2,4-dimethylbenzaldehyde;2-hydroxy-4-methylbenzaldehyde;methane.

Molecular Properties

Compound Name2,4-dimethylbenzaldehyde;2-hydroxy-4-methylbenzaldehyde;methane
PubChem CID161019797
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name2,4-dimethylbenzaldehyde;2-hydroxy-4-methylbenzaldehyde;methane
SMILESC.C.C.Cc1ccc(C=O)c(C)c1.Cc1ccc(C=O)c(O)c1
InChIInChI=1S/C9H10O.C8H8O2.3CH4/c1-7-3-4-9(6-10)8(2)5-7;1-6-2-3-7(5-9)8(10)4-6;;;/h3-6H,1-2H3;2-5,10H,1H3;3*1H4
InChIKeyTYFDUQGKXAMZPJ-UHFFFAOYSA-N
XLogP5.54
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylbenzaldehyde;2-hydroxy-4-methylbenzaldehyde;methane?
The IUPAC name of 2,4-dimethylbenzaldehyde;2-hydroxy-4-methylbenzaldehyde;methane (CID 161019797) is 2,4-dimethylbenzaldehyde;2-hydroxy-4-methylbenzaldehyde;methane.
What is the SMILES notation for 2,4-dimethylbenzaldehyde;2-hydroxy-4-methylbenzaldehyde;methane?
The canonical SMILES for 2,4-dimethylbenzaldehyde;2-hydroxy-4-methylbenzaldehyde;methane is C.C.C.Cc1ccc(C=O)c(C)c1.Cc1ccc(C=O)c(O)c1.
What is the InChIKey of 2,4-dimethylbenzaldehyde;2-hydroxy-4-methylbenzaldehyde;methane?
The InChIKey is TYFDUQGKXAMZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.C8H8O2.3CH4/c1-7-3-4-9(6-10)8(2)5-7;1-6-2-3-7(5-9)8(10)4-6;;;/h3-6H,1-2H3;2-5,10H,1H3;3*1H4.
What are the key properties of 2,4-dimethylbenzaldehyde;2-hydroxy-4-methylbenzaldehyde;methane?
2,4-dimethylbenzaldehyde;2-hydroxy-4-methylbenzaldehyde;methane has a molecular weight of 318.46 g/mol, XLogP of 5.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylbenzaldehyde;2-hydroxy-4-methylbenzaldehyde;methane is sourced from PubChem (CID 161019797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).