4-[[4-[(4-formyl-2,6-dimethoxyphenoxy)methyl]-2,5-dimethoxyphenyl]methoxy]-3,5-dimethoxybenzaldehyde

C28H30O10 — CID 21037530

IUPAC4-[[4-[(4-formyl-2,6-dimethoxyphenoxy)methyl]-2,5-dimethoxyphenyl]methoxy]-3,5-dimethoxybenzaldehyde
SMILESCOc1cc(COc2c(OC)cc(C=O)cc2OC)c(OC)cc1COc1c(OC)cc(C=O)cc1OC
InChIInChI=1S/C28H30O10/c1-31-21-11-20(16-38-28-25(35-5)9-18(14-30)10-26(28)36-6)22(32-2)12-19(21)15-37-27-23(33-3)7-17(13-29)8-24(27)34-4/h7-14H,15-16H2,1-6H3
InChIKeyLCVGWKQKBPIEPS-UHFFFAOYSA-N
MW526.54 g/mol
LogP4.52
Rot. Bonds14

About 4-[[4-[(4-formyl-2,6-dimethoxyphenoxy)methyl]-2,5-dimethoxyphenyl]methoxy]-3,5-dimethoxybenzaldehyde

4-[[4-[(4-formyl-2,6-dimethoxyphenoxy)methyl]-2,5-dimethoxyphenyl]methoxy]-3,5-dimethoxybenzaldehyde (PubChem CID 21037530) has the molecular formula C28H30O10 and a molecular weight of 526.54 g/mol. Its IUPAC name is 4-[[4-[(4-formyl-2,6-dimethoxyphenoxy)methyl]-2,5-dimethoxyphenyl]methoxy]-3,5-dimethoxybenzaldehyde.

Molecular Properties

Compound Name4-[[4-[(4-formyl-2,6-dimethoxyphenoxy)methyl]-2,5-dimethoxyphenyl]methoxy]-3,5-dimethoxybenzaldehyde
PubChem CID21037530
Molecular FormulaC28H30O10
Molecular Weight526.54 g/mol
Exact Mass526.18
IUPAC Name4-[[4-[(4-formyl-2,6-dimethoxyphenoxy)methyl]-2,5-dimethoxyphenyl]methoxy]-3,5-dimethoxybenzaldehyde
SMILESCOc1cc(COc2c(OC)cc(C=O)cc2OC)c(OC)cc1COc1c(OC)cc(C=O)cc1OC
InChIInChI=1S/C28H30O10/c1-31-21-11-20(16-38-28-25(35-5)9-18(14-30)10-26(28)36-6)22(32-2)12-19(21)15-37-27-23(33-3)7-17(13-29)8-24(27)34-4/h7-14H,15-16H2,1-6H3
InChIKeyLCVGWKQKBPIEPS-UHFFFAOYSA-N
XLogP4.52
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.54
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-chlorophenyl)methoxy]-3,5-dimethoxybenzaldehyde
CID 580684
3-(5-formyl-3-methoxy-2-phenylmethoxyphenoxy)-5-methoxy-4-phenylmethoxybenzaldehyde
CID 102236097
3,4-dimethoxy-5-(methoxymethyl)benzaldehyde
CID 117275838
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832
3-ethyl-4,5-dimethoxybenzaldehyde
CID 88965998
4-[2-(dimethylamino)ethoxy]-3,5-dimethoxybenzaldehyde
CID 43516597
4-[(2-bromophenyl)methoxy]-3-iodo-5-methoxybenzaldehyde
CID 598181
3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxybenzaldehyde
CID 1276566
3,5-dimethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 16769172
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3,5-dimethoxybenzaldehyde
CID 43516639
3,5-dimethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 5123930
3-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-5-methoxybenzaldehyde
CID 43622448

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-formyl-2,6-dimethoxyphenoxy)methyl]-2,5-dimethoxyphenyl]methoxy]-3,5-dimethoxybenzaldehyde?
The IUPAC name of 4-[[4-[(4-formyl-2,6-dimethoxyphenoxy)methyl]-2,5-dimethoxyphenyl]methoxy]-3,5-dimethoxybenzaldehyde (CID 21037530) is 4-[[4-[(4-formyl-2,6-dimethoxyphenoxy)methyl]-2,5-dimethoxyphenyl]methoxy]-3,5-dimethoxybenzaldehyde.
What is the SMILES notation for 4-[[4-[(4-formyl-2,6-dimethoxyphenoxy)methyl]-2,5-dimethoxyphenyl]methoxy]-3,5-dimethoxybenzaldehyde?
The canonical SMILES for 4-[[4-[(4-formyl-2,6-dimethoxyphenoxy)methyl]-2,5-dimethoxyphenyl]methoxy]-3,5-dimethoxybenzaldehyde is COc1cc(COc2c(OC)cc(C=O)cc2OC)c(OC)cc1COc1c(OC)cc(C=O)cc1OC.
What is the InChIKey of 4-[[4-[(4-formyl-2,6-dimethoxyphenoxy)methyl]-2,5-dimethoxyphenyl]methoxy]-3,5-dimethoxybenzaldehyde?
The InChIKey is LCVGWKQKBPIEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30O10/c1-31-21-11-20(16-38-28-25(35-5)9-18(14-30)10-26(28)36-6)22(32-2)12-19(21)15-37-27-23(33-3)7-17(13-29)8-24(27)34-4/h7-14H,15-16H2,1-6H3.
What are the key properties of 4-[[4-[(4-formyl-2,6-dimethoxyphenoxy)methyl]-2,5-dimethoxyphenyl]methoxy]-3,5-dimethoxybenzaldehyde?
4-[[4-[(4-formyl-2,6-dimethoxyphenoxy)methyl]-2,5-dimethoxyphenyl]methoxy]-3,5-dimethoxybenzaldehyde has a molecular weight of 526.54 g/mol, XLogP of 4.52, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-formyl-2,6-dimethoxyphenoxy)methyl]-2,5-dimethoxyphenyl]methoxy]-3,5-dimethoxybenzaldehyde is sourced from PubChem (CID 21037530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).