3,5-dimethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde

C18H20O6 — CID 5123930

IUPAC3,5-dimethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
SMILESCOc1ccccc1OCCOc1c(OC)cc(C=O)cc1OC
InChIInChI=1S/C18H20O6/c1-20-14-6-4-5-7-15(14)23-8-9-24-18-16(21-2)10-13(12-19)11-17(18)22-3/h4-7,10-12H,8-9H2,1-3H3
InChIKeyPXUYEXJNJFSESZ-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.98
Rot. Bonds9

About 3,5-dimethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde

3,5-dimethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde (PubChem CID 5123930) has the molecular formula C18H20O6 and a molecular weight of 332.35 g/mol. Its IUPAC name is 3,5-dimethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde.

Molecular Properties

Compound Name3,5-dimethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
PubChem CID5123930
Molecular FormulaC18H20O6
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name3,5-dimethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
SMILESCOc1ccccc1OCCOc1c(OC)cc(C=O)cc1OC
InChIInChI=1S/C18H20O6/c1-20-14-6-4-5-7-15(14)23-8-9-24-18-16(21-2)10-13(12-19)11-17(18)22-3/h4-7,10-12H,8-9H2,1-3H3
InChIKeyPXUYEXJNJFSESZ-UHFFFAOYSA-N
XLogP2.98
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735
3-ethoxy-5-iodo-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 165353614
3-(2-ethoxyphenoxy)-5-methoxy-4-pentoxybenzaldehyde
CID 7139151
3-bromo-4-[2-(2,3-dimethylphenoxy)ethoxy]-5-methoxybenzaldehyde
CID 20985728
4-[2-(dimethylamino)ethoxy]-3,5-dimethoxybenzaldehyde
CID 43516597
3-(5-formyl-3-methoxy-2-phenylmethoxyphenoxy)-5-methoxy-4-phenylmethoxybenzaldehyde
CID 102236097
4-butoxy-3-(2-tert-butylphenoxy)-5-methoxybenzaldehyde
CID 7139103
4-[(2-chlorophenyl)methoxy]-3,5-dimethoxybenzaldehyde
CID 580684
4-[2-(4-benzylpiperazin-1-yl)ethoxy]-3,5-dimethoxybenzaldehyde
CID 87531019
4-methoxy-3-[2-(2,4,6-trichlorophenoxy)ethoxy]benzaldehyde
CID 20985477
4-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 2283387
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde?
The IUPAC name of 3,5-dimethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde (CID 5123930) is 3,5-dimethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde.
What is the SMILES notation for 3,5-dimethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde?
The canonical SMILES for 3,5-dimethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde is COc1ccccc1OCCOc1c(OC)cc(C=O)cc1OC.
What is the InChIKey of 3,5-dimethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde?
The InChIKey is PXUYEXJNJFSESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O6/c1-20-14-6-4-5-7-15(14)23-8-9-24-18-16(21-2)10-13(12-19)11-17(18)22-3/h4-7,10-12H,8-9H2,1-3H3.
What are the key properties of 3,5-dimethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde?
3,5-dimethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde has a molecular weight of 332.35 g/mol, XLogP of 2.98, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde is sourced from PubChem (CID 5123930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).