3-[2-[4-methyl-2-(2-methylbutan-2-yl)phenyl]ethenyl]benzaldehyde

C21H24O — CID 123292122

IUPAC3-[2-[4-methyl-2-(2-methylbutan-2-yl)phenyl]ethenyl]benzaldehyde
SMILESCCC(C)(C)c1cc(C)ccc1C=Cc1cccc(C=O)c1
InChIInChI=1S/C21H24O/c1-5-21(3,4)20-13-16(2)9-11-19(20)12-10-17-7-6-8-18(14-17)15-22/h6-15H,5H2,1-4H3
InChIKeyCQZIIZKEZDHNSS-UHFFFAOYSA-N
MW292.42 g/mol
LogP5.67
Rot. Bonds5

About 3-[2-[4-methyl-2-(2-methylbutan-2-yl)phenyl]ethenyl]benzaldehyde

3-[2-[4-methyl-2-(2-methylbutan-2-yl)phenyl]ethenyl]benzaldehyde (PubChem CID 123292122) has the molecular formula C21H24O and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-[2-[4-methyl-2-(2-methylbutan-2-yl)phenyl]ethenyl]benzaldehyde.

Molecular Properties

Compound Name3-[2-[4-methyl-2-(2-methylbutan-2-yl)phenyl]ethenyl]benzaldehyde
PubChem CID123292122
Molecular FormulaC21H24O
Molecular Weight292.42 g/mol
Exact Mass292.18
IUPAC Name3-[2-[4-methyl-2-(2-methylbutan-2-yl)phenyl]ethenyl]benzaldehyde
SMILESCCC(C)(C)c1cc(C)ccc1C=Cc1cccc(C=O)c1
InChIInChI=1S/C21H24O/c1-5-21(3,4)20-13-16(2)9-11-19(20)12-10-17-7-6-8-18(14-17)15-22/h6-15H,5H2,1-4H3
InChIKeyCQZIIZKEZDHNSS-UHFFFAOYSA-N
XLogP5.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.42
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-ethyl-4-methylphenyl)ethenyl]benzaldehyde
CID 123355717
benzene-1,3-dicarbaldehyde;ethane
CID 91375977
benzene-1,3-dicarbaldehyde;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 170425148
3-[2-(2-tert-butyl-4-methylphenoxy)ethoxy]benzaldehyde
CID 20986486
1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
2-(2-aminopropan-2-yl)-4-methylbenzaldehyde
CID 117277629
ethyl (E)-3-(3-formylphenyl)prop-2-enoate
CID 11310219
3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline
CID 22899863
3-[(1Z)-buta-1,3-dienyl]benzaldehyde
CID 45083985
2-[(E)-2-(3-tert-butyl-2-methoxy-5-methylphenyl)ethenyl]-5-methylbenzaldehyde
CID 87415054
3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122476067
1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene
CID 158666268

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-methyl-2-(2-methylbutan-2-yl)phenyl]ethenyl]benzaldehyde?
The IUPAC name of 3-[2-[4-methyl-2-(2-methylbutan-2-yl)phenyl]ethenyl]benzaldehyde (CID 123292122) is 3-[2-[4-methyl-2-(2-methylbutan-2-yl)phenyl]ethenyl]benzaldehyde.
What is the SMILES notation for 3-[2-[4-methyl-2-(2-methylbutan-2-yl)phenyl]ethenyl]benzaldehyde?
The canonical SMILES for 3-[2-[4-methyl-2-(2-methylbutan-2-yl)phenyl]ethenyl]benzaldehyde is CCC(C)(C)c1cc(C)ccc1C=Cc1cccc(C=O)c1.
What is the InChIKey of 3-[2-[4-methyl-2-(2-methylbutan-2-yl)phenyl]ethenyl]benzaldehyde?
The InChIKey is CQZIIZKEZDHNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O/c1-5-21(3,4)20-13-16(2)9-11-19(20)12-10-17-7-6-8-18(14-17)15-22/h6-15H,5H2,1-4H3.
What are the key properties of 3-[2-[4-methyl-2-(2-methylbutan-2-yl)phenyl]ethenyl]benzaldehyde?
3-[2-[4-methyl-2-(2-methylbutan-2-yl)phenyl]ethenyl]benzaldehyde has a molecular weight of 292.42 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-methyl-2-(2-methylbutan-2-yl)phenyl]ethenyl]benzaldehyde is sourced from PubChem (CID 123292122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).