4-[bis(3,4-dimethylphenyl)methyl]benzaldehyde

C24H24O — CID 44551381

IUPAC4-[bis(3,4-dimethylphenyl)methyl]benzaldehyde
SMILESCc1ccc(C(c2ccc(C=O)cc2)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C24H24O/c1-16-5-9-22(13-18(16)3)24(21-11-7-20(15-25)8-12-21)23-10-6-17(2)19(4)14-23/h5-15,24H,1-4H3
InChIKeyMYNMKFBIEPTHQM-UHFFFAOYSA-N
MW328.46 g/mol
LogP5.91
Rot. Bonds4

About 4-[bis(3,4-dimethylphenyl)methyl]benzaldehyde

4-[bis(3,4-dimethylphenyl)methyl]benzaldehyde (PubChem CID 44551381) has the molecular formula C24H24O and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-[bis(3,4-dimethylphenyl)methyl]benzaldehyde.

Molecular Properties

Compound Name4-[bis(3,4-dimethylphenyl)methyl]benzaldehyde
PubChem CID44551381
Molecular FormulaC24H24O
Molecular Weight328.46 g/mol
Exact Mass328.18
IUPAC Name4-[bis(3,4-dimethylphenyl)methyl]benzaldehyde
SMILESCc1ccc(C(c2ccc(C=O)cc2)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C24H24O/c1-16-5-9-22(13-18(16)3)24(21-11-7-20(15-25)8-12-21)23-10-6-17(2)19(4)14-23/h5-15,24H,1-4H3
InChIKeyMYNMKFBIEPTHQM-UHFFFAOYSA-N
XLogP5.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(3,4-dimethylphenyl)methyl]benzaldehyde?
The IUPAC name of 4-[bis(3,4-dimethylphenyl)methyl]benzaldehyde (CID 44551381) is 4-[bis(3,4-dimethylphenyl)methyl]benzaldehyde.
What is the SMILES notation for 4-[bis(3,4-dimethylphenyl)methyl]benzaldehyde?
The canonical SMILES for 4-[bis(3,4-dimethylphenyl)methyl]benzaldehyde is Cc1ccc(C(c2ccc(C=O)cc2)c2ccc(C)c(C)c2)cc1C.
What is the InChIKey of 4-[bis(3,4-dimethylphenyl)methyl]benzaldehyde?
The InChIKey is MYNMKFBIEPTHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O/c1-16-5-9-22(13-18(16)3)24(21-11-7-20(15-25)8-12-21)23-10-6-17(2)19(4)14-23/h5-15,24H,1-4H3.
What are the key properties of 4-[bis(3,4-dimethylphenyl)methyl]benzaldehyde?
4-[bis(3,4-dimethylphenyl)methyl]benzaldehyde has a molecular weight of 328.46 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(3,4-dimethylphenyl)methyl]benzaldehyde is sourced from PubChem (CID 44551381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).