5-(dimethoxymethyl)-2-methylbenzaldehyde

C11H14O3 — CID 115019768

IUPAC5-(dimethoxymethyl)-2-methylbenzaldehyde
SMILESCOC(OC)c1ccc(C)c(C=O)c1
InChIInChI=1S/C11H14O3/c1-8-4-5-9(6-10(8)7-12)11(13-2)14-3/h4-7,11H,1-3H3
InChIKeyWVJKAYTUJLUVBI-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.10
Rot. Bonds4

About 5-(dimethoxymethyl)-2-methylbenzaldehyde

5-(dimethoxymethyl)-2-methylbenzaldehyde (PubChem CID 115019768) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 5-(dimethoxymethyl)-2-methylbenzaldehyde.

Molecular Properties

Compound Name5-(dimethoxymethyl)-2-methylbenzaldehyde
PubChem CID115019768
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name5-(dimethoxymethyl)-2-methylbenzaldehyde
SMILESCOC(OC)c1ccc(C)c(C=O)c1
InChIInChI=1S/C11H14O3/c1-8-4-5-9(6-10(8)7-12)11(13-2)14-3/h4-7,11H,1-3H3
InChIKeyWVJKAYTUJLUVBI-UHFFFAOYSA-N
XLogP2.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-(dimethoxymethyl)-2-methylbenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(dimethoxymethyl)-1,2-dimethylbenzene;3,4-dimethylbenzaldehyde
CID 157176627
2,5-dimethylbenzaldehyde;ethane
CID 142106726
bis[4-(dimethylamino)phenyl]methanol;5-(dimethylamino)-2-methylbenzaldehyde
CID 143118535
2-methyl-5-(3-propan-2-ylphenyl)benzaldehyde
CID 175665650
5,8-dimethylnaphthalene-2,3-dicarbaldehyde
CID 12579975
5-(1-aminoethyl)-2-methoxybenzaldehyde
CID 105438045
3-(dimethoxymethyl)-2-hydroxy-5-methylbenzaldehyde
CID 71337704
3-formyl-4-methylbenzoyl chloride
CID 162361859
5-benzhydryl-2-methoxybenzaldehyde
CID 134942077
[(E)-(2-methyl-5-propan-2-ylphenyl)methylideneamino]urea
CID 121013846
2-methyl-5-(2-oxopropyl)benzaldehyde
CID 131034099
3-formyl-N,N,4-trimethylbenzenesulfonamide
CID 105484638

Frequently Asked Questions

What is the IUPAC name of 5-(dimethoxymethyl)-2-methylbenzaldehyde?
The IUPAC name of 5-(dimethoxymethyl)-2-methylbenzaldehyde (CID 115019768) is 5-(dimethoxymethyl)-2-methylbenzaldehyde.
What is the SMILES notation for 5-(dimethoxymethyl)-2-methylbenzaldehyde?
The canonical SMILES for 5-(dimethoxymethyl)-2-methylbenzaldehyde is COC(OC)c1ccc(C)c(C=O)c1.
What is the InChIKey of 5-(dimethoxymethyl)-2-methylbenzaldehyde?
The InChIKey is WVJKAYTUJLUVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8-4-5-9(6-10(8)7-12)11(13-2)14-3/h4-7,11H,1-3H3.
What are the key properties of 5-(dimethoxymethyl)-2-methylbenzaldehyde?
5-(dimethoxymethyl)-2-methylbenzaldehyde has a molecular weight of 194.23 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethoxymethyl)-2-methylbenzaldehyde is sourced from PubChem (CID 115019768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).