4-methoxy-3-(methoxymethoxy)-5-methylbenzaldehyde

C11H14O4 — CID 59773278

IUPAC4-methoxy-3-(methoxymethoxy)-5-methylbenzaldehyde
SMILESCOCOc1cc(C=O)cc(C)c1OC
InChIInChI=1S/C11H14O4/c1-8-4-9(6-12)5-10(11(8)14-3)15-7-13-2/h4-6H,7H2,1-3H3
InChIKeyWVCOWXZQCHIBCP-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.80
Rot. Bonds5

About 4-methoxy-3-(methoxymethoxy)-5-methylbenzaldehyde

4-methoxy-3-(methoxymethoxy)-5-methylbenzaldehyde (PubChem CID 59773278) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-methoxy-3-(methoxymethoxy)-5-methylbenzaldehyde.

Molecular Properties

Compound Name4-methoxy-3-(methoxymethoxy)-5-methylbenzaldehyde
PubChem CID59773278
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name4-methoxy-3-(methoxymethoxy)-5-methylbenzaldehyde
SMILESCOCOc1cc(C=O)cc(C)c1OC
InChIInChI=1S/C11H14O4/c1-8-4-9(6-12)5-10(11(8)14-3)15-7-13-2/h4-6H,7H2,1-3H3
InChIKeyWVCOWXZQCHIBCP-UHFFFAOYSA-N
XLogP1.80
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(methoxymethoxy)-5-methylbenzaldehyde?
The IUPAC name of 4-methoxy-3-(methoxymethoxy)-5-methylbenzaldehyde (CID 59773278) is 4-methoxy-3-(methoxymethoxy)-5-methylbenzaldehyde.
What is the SMILES notation for 4-methoxy-3-(methoxymethoxy)-5-methylbenzaldehyde?
The canonical SMILES for 4-methoxy-3-(methoxymethoxy)-5-methylbenzaldehyde is COCOc1cc(C=O)cc(C)c1OC.
What is the InChIKey of 4-methoxy-3-(methoxymethoxy)-5-methylbenzaldehyde?
The InChIKey is WVCOWXZQCHIBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-8-4-9(6-12)5-10(11(8)14-3)15-7-13-2/h4-6H,7H2,1-3H3.
What are the key properties of 4-methoxy-3-(methoxymethoxy)-5-methylbenzaldehyde?
4-methoxy-3-(methoxymethoxy)-5-methylbenzaldehyde has a molecular weight of 210.23 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(methoxymethoxy)-5-methylbenzaldehyde is sourced from PubChem (CID 59773278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).