2,3,6-trimethoxy-4,5-dimethylbenzaldehyde

C12H16O4 — CID 10775498

IUPAC2,3,6-trimethoxy-4,5-dimethylbenzaldehyde
SMILESCOc1c(C)c(C)c(OC)c(OC)c1C=O
InChIInChI=1S/C12H16O4/c1-7-8(2)11(15-4)12(16-5)9(6-13)10(7)14-3/h6H,1-5H3
InChIKeyYSKXIRJTJGCBSS-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.14
Rot. Bonds4

About 2,3,6-trimethoxy-4,5-dimethylbenzaldehyde

2,3,6-trimethoxy-4,5-dimethylbenzaldehyde (PubChem CID 10775498) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2,3,6-trimethoxy-4,5-dimethylbenzaldehyde.

Molecular Properties

Compound Name2,3,6-trimethoxy-4,5-dimethylbenzaldehyde
PubChem CID10775498
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2,3,6-trimethoxy-4,5-dimethylbenzaldehyde
SMILESCOc1c(C)c(C)c(OC)c(OC)c1C=O
InChIInChI=1S/C12H16O4/c1-7-8(2)11(15-4)12(16-5)9(6-13)10(7)14-3/h6H,1-5H3
InChIKeyYSKXIRJTJGCBSS-UHFFFAOYSA-N
XLogP2.14
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-3,6-dimethoxy-4,5-dimethylbenzaldehyde
CID 11097704
2-hydroxy-3,6-dimethoxy-4,5-dimethylbenzaldehyde
CID 10798490
2-bromo-3,5,6-trimethoxy-4-methylbenzaldehyde
CID 11403516
4-amino-3,5-dimethoxy-2,6-dimethylbenzaldehyde
CID 88634868
2,4,6-trimethoxy-5-[(E)-3-methylbut-1-enyl]benzene-1,3-dicarbaldehyde
CID 11437785
2,3,5,6-tetrafluoro-4-methoxybenzaldehyde
CID 91620939
2-fluoro-4,5-dihydroxy-3-methoxy-6-methylbenzaldehyde
CID 170993665
2,3-dimethoxy-4,5-dimethylbenzaldehyde
CID 66545575
6-bromo-2-methoxy-3-methyl-4-propan-2-yloxybenzaldehyde
CID 11266173
methane;1-methoxy-2,3,4,5,6-pentamethylbenzene
CID 157181904
2,3,5-trimethoxy-7-methyl-6-(1,6,7-trimethoxy-3,5-dimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde
CID 123872830
5-hydroxy-7-methoxy-6-methyl-1-oxo-3H-2-benzofuran-4-carbaldehyde
CID 19901298

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethoxy-4,5-dimethylbenzaldehyde?
The IUPAC name of 2,3,6-trimethoxy-4,5-dimethylbenzaldehyde (CID 10775498) is 2,3,6-trimethoxy-4,5-dimethylbenzaldehyde.
What is the SMILES notation for 2,3,6-trimethoxy-4,5-dimethylbenzaldehyde?
The canonical SMILES for 2,3,6-trimethoxy-4,5-dimethylbenzaldehyde is COc1c(C)c(C)c(OC)c(OC)c1C=O.
What is the InChIKey of 2,3,6-trimethoxy-4,5-dimethylbenzaldehyde?
The InChIKey is YSKXIRJTJGCBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-7-8(2)11(15-4)12(16-5)9(6-13)10(7)14-3/h6H,1-5H3.
What are the key properties of 2,3,6-trimethoxy-4,5-dimethylbenzaldehyde?
2,3,6-trimethoxy-4,5-dimethylbenzaldehyde has a molecular weight of 224.26 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethoxy-4,5-dimethylbenzaldehyde is sourced from PubChem (CID 10775498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).