4-[[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]phenyl]methyl]benzaldehyde

C21H24O — CID 145192395

IUPAC4-[[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]phenyl]methyl]benzaldehyde
SMILESCC/C(C)=C(/C)c1cc(Cc2ccc(C=O)cc2)ccc1C
InChIInChI=1S/C21H24O/c1-5-15(2)17(4)21-13-20(7-6-16(21)3)12-18-8-10-19(14-22)11-9-18/h6-11,13-14H,5,12H2,1-4H3/b17-15-
InChIKeyHIJHYPCEPIAGPR-ICFOKQHNSA-N
MW292.42 g/mol
LogP5.60
Rot. Bonds5

About 4-[[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]phenyl]methyl]benzaldehyde

4-[[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]phenyl]methyl]benzaldehyde (PubChem CID 145192395) has the molecular formula C21H24O and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-[[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]phenyl]methyl]benzaldehyde.

Molecular Properties

Compound Name4-[[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]phenyl]methyl]benzaldehyde
PubChem CID145192395
Molecular FormulaC21H24O
Molecular Weight292.42 g/mol
Exact Mass292.18
IUPAC Name4-[[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]phenyl]methyl]benzaldehyde
SMILESCC/C(C)=C(/C)c1cc(Cc2ccc(C=O)cc2)ccc1C
InChIInChI=1S/C21H24O/c1-5-15(2)17(4)21-13-20(7-6-16(21)3)12-18-8-10-19(14-22)11-9-18/h6-11,13-14H,5,12H2,1-4H3/b17-15-
InChIKeyHIJHYPCEPIAGPR-ICFOKQHNSA-N
XLogP5.60
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 ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]anilino]benzaldehyde
CID 145192403
1,4-dimethyl-2-[(E)-3-methylpent-2-en-2-yl]benzene
CID 167484189
4-methyl-3-[(Z)-2-methylhept-3-en-3-yl]benzaldehyde
CID 155278902
4-(ethylaminomethyl)benzaldehyde
CID 87956656
methyl (2S)-2-amino-3-[4-[(4-formylphenyl)methyl]phenyl]propanoate
CID 87405102
ethane;1-[2-hydroxy-5-[(4-hydroxyphenyl)methyl]phenyl]ethanone
CID 90829801
ethanol;4-hydroxybenzaldehyde
CID 172788634
2-chloroacetaldehyde;(E)-2-methyl-3-(2-methyl-5-propylphenyl)but-2-enamide
CID 143831028
4-(hydroxymethyl)benzaldehyde;[4-(hydroxymethyl)phenyl]methanol
CID 157111710
2-(3,4-dimethylphenyl)-N-(4-formylphenyl)acetamide
CID 106912167
(2S)-3-[4-[(4-formylphenyl)methyl]phenyl]-2-(methylamino)propanoic acid
CID 87405104
chloroethane;4-hydroxybenzaldehyde
CID 174574301

Frequently Asked Questions

What is the IUPAC name of 4-[[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]phenyl]methyl]benzaldehyde?
The IUPAC name of 4-[[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]phenyl]methyl]benzaldehyde (CID 145192395) is 4-[[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]phenyl]methyl]benzaldehyde.
What is the SMILES notation for 4-[[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]phenyl]methyl]benzaldehyde?
The canonical SMILES for 4-[[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]phenyl]methyl]benzaldehyde is CC/C(C)=C(/C)c1cc(Cc2ccc(C=O)cc2)ccc1C.
What is the InChIKey of 4-[[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]phenyl]methyl]benzaldehyde?
The InChIKey is HIJHYPCEPIAGPR-ICFOKQHNSA-N. The full InChI is InChI=1S/C21H24O/c1-5-15(2)17(4)21-13-20(7-6-16(21)3)12-18-8-10-19(14-22)11-9-18/h6-11,13-14H,5,12H2,1-4H3/b17-15-.
What are the key properties of 4-[[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]phenyl]methyl]benzaldehyde?
4-[[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]phenyl]methyl]benzaldehyde has a molecular weight of 292.42 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methyl-3-[(Z)-3-methylpent-2-en-2-yl]phenyl]methyl]benzaldehyde is sourced from PubChem (CID 145192395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).