4-[4-(4-formylphenyl)-2,3,5,6-tetramethylphenyl]benzaldehyde

C24H22O2 — CID 11462006

IUPAC4-[4-(4-formylphenyl)-2,3,5,6-tetramethylphenyl]benzaldehyde
SMILESCc1c(C)c(-c2ccc(C=O)cc2)c(C)c(C)c1-c1ccc(C=O)cc1
InChIInChI=1S/C24H22O2/c1-15-16(2)24(22-11-7-20(14-26)8-12-22)18(4)17(3)23(15)21-9-5-19(13-25)6-10-21/h5-14H,1-4H3
InChIKeySOGBYRYNMDXUPO-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.88
Rot. Bonds4

About 4-[4-(4-formylphenyl)-2,3,5,6-tetramethylphenyl]benzaldehyde

4-[4-(4-formylphenyl)-2,3,5,6-tetramethylphenyl]benzaldehyde (PubChem CID 11462006) has the molecular formula C24H22O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-[4-(4-formylphenyl)-2,3,5,6-tetramethylphenyl]benzaldehyde.

Molecular Properties

Compound Name4-[4-(4-formylphenyl)-2,3,5,6-tetramethylphenyl]benzaldehyde
PubChem CID11462006
Molecular FormulaC24H22O2
Molecular Weight342.44 g/mol
Exact Mass342.16
IUPAC Name4-[4-(4-formylphenyl)-2,3,5,6-tetramethylphenyl]benzaldehyde
SMILESCc1c(C)c(-c2ccc(C=O)cc2)c(C)c(C)c1-c1ccc(C=O)cc1
InChIInChI=1S/C24H22O2/c1-15-16(2)24(22-11-7-20(14-26)8-12-22)18(4)17(3)23(15)21-9-5-19(13-25)6-10-21/h5-14H,1-4H3
InChIKeySOGBYRYNMDXUPO-UHFFFAOYSA-N
XLogP5.88
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2,7-dimethyl-10-(4-methylphenyl)phenanthren-9-yl]benzaldehyde
CID 58544493
4-(4-hydroxy-2,6-dimethylphenyl)benzaldehyde
CID 51350055
sodium;hydride;4-methylbenzaldehyde
CID 173013137
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzaldehyde
CID 51063711
4-(3,5-dibromo-4-methylphenyl)benzaldehyde
CID 164893108
4-[4-(4-formylphenyl)-2,3,5,6-tetrakis(methoxymethyl)phenyl]benzaldehyde
CID 11271183
4-[10-(4-formylphenyl)-2,3,6,7-tetramethoxyanthracen-9-yl]benzaldehyde
CID 101191767
4-(2,3-dimethylphenyl)benzaldehyde
CID 53426139
5-(4-formylphenyl)-2,3,4-trimethylbenzaldehyde
CID 175324399
4-[2-(4-chlorophenyl)-3,4-dioxocyclobuten-1-yl]benzaldehyde
CID 101435244
4-(2,4,6-trifluorophenyl)benzaldehyde
CID 54910403
benzene;terephthalaldehyde
CID 163498156

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-formylphenyl)-2,3,5,6-tetramethylphenyl]benzaldehyde?
The IUPAC name of 4-[4-(4-formylphenyl)-2,3,5,6-tetramethylphenyl]benzaldehyde (CID 11462006) is 4-[4-(4-formylphenyl)-2,3,5,6-tetramethylphenyl]benzaldehyde.
What is the SMILES notation for 4-[4-(4-formylphenyl)-2,3,5,6-tetramethylphenyl]benzaldehyde?
The canonical SMILES for 4-[4-(4-formylphenyl)-2,3,5,6-tetramethylphenyl]benzaldehyde is Cc1c(C)c(-c2ccc(C=O)cc2)c(C)c(C)c1-c1ccc(C=O)cc1.
What is the InChIKey of 4-[4-(4-formylphenyl)-2,3,5,6-tetramethylphenyl]benzaldehyde?
The InChIKey is SOGBYRYNMDXUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O2/c1-15-16(2)24(22-11-7-20(14-26)8-12-22)18(4)17(3)23(15)21-9-5-19(13-25)6-10-21/h5-14H,1-4H3.
What are the key properties of 4-[4-(4-formylphenyl)-2,3,5,6-tetramethylphenyl]benzaldehyde?
4-[4-(4-formylphenyl)-2,3,5,6-tetramethylphenyl]benzaldehyde has a molecular weight of 342.44 g/mol, XLogP of 5.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-formylphenyl)-2,3,5,6-tetramethylphenyl]benzaldehyde is sourced from PubChem (CID 11462006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).