4-[4-(4-formylphenyl)-2,3,5,6-tetrakis(methoxymethyl)phenyl]benzaldehyde

C28H30O6 — CID 11271183

IUPAC4-[4-(4-formylphenyl)-2,3,5,6-tetrakis(methoxymethyl)phenyl]benzaldehyde
SMILESCOCc1c(COC)c(-c2ccc(C=O)cc2)c(COC)c(COC)c1-c1ccc(C=O)cc1
InChIInChI=1S/C28H30O6/c1-31-15-23-24(16-32-2)28(22-11-7-20(14-30)8-12-22)26(18-34-4)25(17-33-3)27(23)21-9-5-19(13-29)6-10-21/h5-14H,15-18H2,1-4H3
InChIKeyLUECDFJAODAINF-UHFFFAOYSA-N
MW462.54 g/mol
LogP5.23
Rot. Bonds12

About 4-[4-(4-formylphenyl)-2,3,5,6-tetrakis(methoxymethyl)phenyl]benzaldehyde

4-[4-(4-formylphenyl)-2,3,5,6-tetrakis(methoxymethyl)phenyl]benzaldehyde (PubChem CID 11271183) has the molecular formula C28H30O6 and a molecular weight of 462.54 g/mol. Its IUPAC name is 4-[4-(4-formylphenyl)-2,3,5,6-tetrakis(methoxymethyl)phenyl]benzaldehyde.

Molecular Properties

Compound Name4-[4-(4-formylphenyl)-2,3,5,6-tetrakis(methoxymethyl)phenyl]benzaldehyde
PubChem CID11271183
Molecular FormulaC28H30O6
Molecular Weight462.54 g/mol
Exact Mass462.20
IUPAC Name4-[4-(4-formylphenyl)-2,3,5,6-tetrakis(methoxymethyl)phenyl]benzaldehyde
SMILESCOCc1c(COC)c(-c2ccc(C=O)cc2)c(COC)c(COC)c1-c1ccc(C=O)cc1
InChIInChI=1S/C28H30O6/c1-31-15-23-24(16-32-2)28(22-11-7-20(14-30)8-12-22)26(18-34-4)25(17-33-3)27(23)21-9-5-19(13-29)6-10-21/h5-14H,15-18H2,1-4H3
InChIKeyLUECDFJAODAINF-UHFFFAOYSA-N
XLogP5.23
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.54
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-formylphenyl)-2,3,5,6-tetramethylphenyl]benzaldehyde
CID 11462006
4-[10-(4-formylphenyl)-2,3,6,7-tetramethoxyanthracen-9-yl]benzaldehyde
CID 101191767
4-(4-hydroxy-2,6-dimethylphenyl)benzaldehyde
CID 51350055
4-ethenylbenzaldehyde;methoxyethane
CID 142202531
4-(4-hydroxyphenyl)benzaldehyde
CID 2759299
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
4-(2,6-dimethyl-4-phenylmethoxyphenyl)benzaldehyde
CID 101137305
3-bromo-5-fluoro-4-(methoxymethyl)benzaldehyde
CID 117275832
3,6-dimethoxy-2-(methoxymethyl)benzaldehyde
CID 10512624
4-[2,7-dimethyl-10-(4-methylphenyl)phenanthren-9-yl]benzaldehyde
CID 58544493
4-[2-(2-methoxyethoxy)phenyl]benzaldehyde
CID 113438349
3,4-bis(methoxymethoxy)benzaldehyde
CID 11746314

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-formylphenyl)-2,3,5,6-tetrakis(methoxymethyl)phenyl]benzaldehyde?
The IUPAC name of 4-[4-(4-formylphenyl)-2,3,5,6-tetrakis(methoxymethyl)phenyl]benzaldehyde (CID 11271183) is 4-[4-(4-formylphenyl)-2,3,5,6-tetrakis(methoxymethyl)phenyl]benzaldehyde.
What is the SMILES notation for 4-[4-(4-formylphenyl)-2,3,5,6-tetrakis(methoxymethyl)phenyl]benzaldehyde?
The canonical SMILES for 4-[4-(4-formylphenyl)-2,3,5,6-tetrakis(methoxymethyl)phenyl]benzaldehyde is COCc1c(COC)c(-c2ccc(C=O)cc2)c(COC)c(COC)c1-c1ccc(C=O)cc1.
What is the InChIKey of 4-[4-(4-formylphenyl)-2,3,5,6-tetrakis(methoxymethyl)phenyl]benzaldehyde?
The InChIKey is LUECDFJAODAINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30O6/c1-31-15-23-24(16-32-2)28(22-11-7-20(14-30)8-12-22)26(18-34-4)25(17-33-3)27(23)21-9-5-19(13-29)6-10-21/h5-14H,15-18H2,1-4H3.
What are the key properties of 4-[4-(4-formylphenyl)-2,3,5,6-tetrakis(methoxymethyl)phenyl]benzaldehyde?
4-[4-(4-formylphenyl)-2,3,5,6-tetrakis(methoxymethyl)phenyl]benzaldehyde has a molecular weight of 462.54 g/mol, XLogP of 5.23, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-formylphenyl)-2,3,5,6-tetrakis(methoxymethyl)phenyl]benzaldehyde is sourced from PubChem (CID 11271183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).