3,6-dimethoxy-2-[2-methoxy-6-(methoxymethoxy)phenyl]benzaldehyde

C18H20O6 — CID 135012085

IUPAC3,6-dimethoxy-2-[2-methoxy-6-(methoxymethoxy)phenyl]benzaldehyde
SMILESCOCOc1cccc(OC)c1-c1c(OC)ccc(OC)c1C=O
InChIInChI=1S/C18H20O6/c1-20-11-24-16-7-5-6-14(22-3)18(16)17-12(10-19)13(21-2)8-9-15(17)23-4/h5-10H,11H2,1-4H3
InChIKeyCXWZHKLNYJTNCI-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.17
Rot. Bonds8

About 3,6-dimethoxy-2-[2-methoxy-6-(methoxymethoxy)phenyl]benzaldehyde

3,6-dimethoxy-2-[2-methoxy-6-(methoxymethoxy)phenyl]benzaldehyde (PubChem CID 135012085) has the molecular formula C18H20O6 and a molecular weight of 332.35 g/mol. Its IUPAC name is 3,6-dimethoxy-2-[2-methoxy-6-(methoxymethoxy)phenyl]benzaldehyde.

Molecular Properties

Compound Name3,6-dimethoxy-2-[2-methoxy-6-(methoxymethoxy)phenyl]benzaldehyde
PubChem CID135012085
Molecular FormulaC18H20O6
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name3,6-dimethoxy-2-[2-methoxy-6-(methoxymethoxy)phenyl]benzaldehyde
SMILESCOCOc1cccc(OC)c1-c1c(OC)ccc(OC)c1C=O
InChIInChI=1S/C18H20O6/c1-20-11-24-16-7-5-6-14(22-3)18(16)17-12(10-19)13(21-2)8-9-15(17)23-4/h5-10H,11H2,1-4H3
InChIKeyCXWZHKLNYJTNCI-UHFFFAOYSA-N
XLogP3.17
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 3,6-dimethoxy-2-[2-methoxy-6-(methoxymethoxy)phenyl]benzaldehyde?
The IUPAC name of 3,6-dimethoxy-2-[2-methoxy-6-(methoxymethoxy)phenyl]benzaldehyde (CID 135012085) is 3,6-dimethoxy-2-[2-methoxy-6-(methoxymethoxy)phenyl]benzaldehyde.
What is the SMILES notation for 3,6-dimethoxy-2-[2-methoxy-6-(methoxymethoxy)phenyl]benzaldehyde?
The canonical SMILES for 3,6-dimethoxy-2-[2-methoxy-6-(methoxymethoxy)phenyl]benzaldehyde is COCOc1cccc(OC)c1-c1c(OC)ccc(OC)c1C=O.
What is the InChIKey of 3,6-dimethoxy-2-[2-methoxy-6-(methoxymethoxy)phenyl]benzaldehyde?
The InChIKey is CXWZHKLNYJTNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O6/c1-20-11-24-16-7-5-6-14(22-3)18(16)17-12(10-19)13(21-2)8-9-15(17)23-4/h5-10H,11H2,1-4H3.
What are the key properties of 3,6-dimethoxy-2-[2-methoxy-6-(methoxymethoxy)phenyl]benzaldehyde?
3,6-dimethoxy-2-[2-methoxy-6-(methoxymethoxy)phenyl]benzaldehyde has a molecular weight of 332.35 g/mol, XLogP of 3.17, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethoxy-2-[2-methoxy-6-(methoxymethoxy)phenyl]benzaldehyde is sourced from PubChem (CID 135012085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).