2,3-dimethoxy-4,5-dimethylbenzaldehyde

C11H14O3 — CID 66545575

IUPAC2,3-dimethoxy-4,5-dimethylbenzaldehyde
SMILESCOc1c(C=O)cc(C)c(C)c1OC
InChIInChI=1S/C11H14O3/c1-7-5-9(6-12)11(14-4)10(13-3)8(7)2/h5-6H,1-4H3
InChIKeyJHKYTBPOWSSDPV-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.13
Rot. Bonds3

About 2,3-dimethoxy-4,5-dimethylbenzaldehyde

2,3-dimethoxy-4,5-dimethylbenzaldehyde (PubChem CID 66545575) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2,3-dimethoxy-4,5-dimethylbenzaldehyde.

Molecular Properties

Compound Name2,3-dimethoxy-4,5-dimethylbenzaldehyde
PubChem CID66545575
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2,3-dimethoxy-4,5-dimethylbenzaldehyde
SMILESCOc1c(C=O)cc(C)c(C)c1OC
InChIInChI=1S/C11H14O3/c1-7-5-9(6-12)11(14-4)10(13-3)8(7)2/h5-6H,1-4H3
InChIKeyJHKYTBPOWSSDPV-UHFFFAOYSA-N
XLogP2.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.13
H-Bond Donors ≤ 50
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 2,3-dimethoxy-4,5-dimethylbenzaldehyde?
The IUPAC name of 2,3-dimethoxy-4,5-dimethylbenzaldehyde (CID 66545575) is 2,3-dimethoxy-4,5-dimethylbenzaldehyde.
What is the SMILES notation for 2,3-dimethoxy-4,5-dimethylbenzaldehyde?
The canonical SMILES for 2,3-dimethoxy-4,5-dimethylbenzaldehyde is COc1c(C=O)cc(C)c(C)c1OC.
What is the InChIKey of 2,3-dimethoxy-4,5-dimethylbenzaldehyde?
The InChIKey is JHKYTBPOWSSDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-7-5-9(6-12)11(14-4)10(13-3)8(7)2/h5-6H,1-4H3.
What are the key properties of 2,3-dimethoxy-4,5-dimethylbenzaldehyde?
2,3-dimethoxy-4,5-dimethylbenzaldehyde has a molecular weight of 194.23 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-4,5-dimethylbenzaldehyde is sourced from PubChem (CID 66545575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).