3,5-dimethoxy-2-methylbenzaldehyde

C10H12O3 — CID 10214428

IUPAC3,5-dimethoxy-2-methylbenzaldehyde
SMILESCOc1cc(C=O)c(C)c(OC)c1
InChIInChI=1S/C10H12O3/c1-7-8(6-11)4-9(12-2)5-10(7)13-3/h4-6H,1-3H3
InChIKeyMPAYFBIOGOCGKY-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.82
Rot. Bonds3

About 3,5-dimethoxy-2-methylbenzaldehyde

3,5-dimethoxy-2-methylbenzaldehyde (PubChem CID 10214428) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 3,5-dimethoxy-2-methylbenzaldehyde.

Molecular Properties

Compound Name3,5-dimethoxy-2-methylbenzaldehyde
PubChem CID10214428
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name3,5-dimethoxy-2-methylbenzaldehyde
SMILESCOc1cc(C=O)c(C)c(OC)c1
InChIInChI=1S/C10H12O3/c1-7-8(6-11)4-9(12-2)5-10(7)13-3/h4-6H,1-3H3
InChIKeyMPAYFBIOGOCGKY-UHFFFAOYSA-N
XLogP1.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,5-dimethoxy-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

CID 89013330
CID 89013330
2-hydroxy-3,5-dimethoxybenzaldehyde
CID 7172046
3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-2-methylbenzaldehyde
CID 174074491
(3,5-dimethoxy-4-methylphenyl) formate
CID 86657502
2-(3,5-dibromophenyl)-3,5-dimethoxybenzaldehyde
CID 126601684
3-formyl-5-methoxy-4-methylbenzenesulfonyl chloride
CID 171022027
2-(1-hydroxypropyl)-3,5-dimethoxybenzaldehyde
CID 154377571
3-hydroxy-5-methoxy-4-methylphthalaldehyde
CID 86129442
1-fluoro-3,5-dimethoxy-2-methylbenzene
CID 22970635
(2-formyl-3,5-dimethoxyphenyl)boronic acid
CID 74890628
2-acetyl-5-methoxy-3-methylbenzaldehyde
CID 171021754
3,5-dimethoxy-2-methylaniline;hydrochloride
CID 91663006

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-2-methylbenzaldehyde?
The IUPAC name of 3,5-dimethoxy-2-methylbenzaldehyde (CID 10214428) is 3,5-dimethoxy-2-methylbenzaldehyde.
What is the SMILES notation for 3,5-dimethoxy-2-methylbenzaldehyde?
The canonical SMILES for 3,5-dimethoxy-2-methylbenzaldehyde is COc1cc(C=O)c(C)c(OC)c1.
What is the InChIKey of 3,5-dimethoxy-2-methylbenzaldehyde?
The InChIKey is MPAYFBIOGOCGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-7-8(6-11)4-9(12-2)5-10(7)13-3/h4-6H,1-3H3.
What are the key properties of 3,5-dimethoxy-2-methylbenzaldehyde?
3,5-dimethoxy-2-methylbenzaldehyde has a molecular weight of 180.20 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-2-methylbenzaldehyde is sourced from PubChem (CID 10214428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).