3-[2-(3-ethyl-4-methylphenyl)ethenyl]benzaldehyde

C18H18O — CID 123355717

IUPAC3-[2-(3-ethyl-4-methylphenyl)ethenyl]benzaldehyde
SMILESCCc1cc(C=Cc2cccc(C=O)c2)ccc1C
InChIInChI=1S/C18H18O/c1-3-18-12-16(8-7-14(18)2)10-9-15-5-4-6-17(11-15)13-19/h4-13H,3H2,1-2H3
InChIKeyQQCKPUDKHMEXER-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.54
Rot. Bonds4

About 3-[2-(3-ethyl-4-methylphenyl)ethenyl]benzaldehyde

3-[2-(3-ethyl-4-methylphenyl)ethenyl]benzaldehyde (PubChem CID 123355717) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[2-(3-ethyl-4-methylphenyl)ethenyl]benzaldehyde.

Molecular Properties

Compound Name3-[2-(3-ethyl-4-methylphenyl)ethenyl]benzaldehyde
PubChem CID123355717
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name3-[2-(3-ethyl-4-methylphenyl)ethenyl]benzaldehyde
SMILESCCc1cc(C=Cc2cccc(C=O)c2)ccc1C
InChIInChI=1S/C18H18O/c1-3-18-12-16(8-7-14(18)2)10-9-15-5-4-6-17(11-15)13-19/h4-13H,3H2,1-2H3
InChIKeyQQCKPUDKHMEXER-UHFFFAOYSA-N
XLogP4.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.54
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

benzene-1,3-dicarbaldehyde;ethane
CID 91375977
(E)-but-2-ene;ethane;2-ethyl-1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;prop-1-ene
CID 143951034
3-[(E)-2-(4-hydroxyphenyl)ethenyl]benzaldehyde
CID 59310574
ethyl (E)-3-(3-formylphenyl)prop-2-enoate
CID 11310219
3-(5-formyl-2-methylphenyl)propanenitrile
CID 130839912
3-(3-bromoprop-1-enyl)benzaldehyde
CID 169475107
3-[2-[4-methyl-2-(2-methylbutan-2-yl)phenyl]ethenyl]benzaldehyde
CID 123292122
benzene-1,3-dicarbaldehyde;tetrakis(1H-pyrrole)
CID 174923777
3-[(1Z)-buta-1,3-dienyl]benzaldehyde
CID 45083985
4-methyl-3-[3-(methylamino)prop-1-enyl]benzaldehyde
CID 169473520
3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122476067
benzene-1,3-dicarbaldehyde;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 170425148

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-ethyl-4-methylphenyl)ethenyl]benzaldehyde?
The IUPAC name of 3-[2-(3-ethyl-4-methylphenyl)ethenyl]benzaldehyde (CID 123355717) is 3-[2-(3-ethyl-4-methylphenyl)ethenyl]benzaldehyde.
What is the SMILES notation for 3-[2-(3-ethyl-4-methylphenyl)ethenyl]benzaldehyde?
The canonical SMILES for 3-[2-(3-ethyl-4-methylphenyl)ethenyl]benzaldehyde is CCc1cc(C=Cc2cccc(C=O)c2)ccc1C.
What is the InChIKey of 3-[2-(3-ethyl-4-methylphenyl)ethenyl]benzaldehyde?
The InChIKey is QQCKPUDKHMEXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-3-18-12-16(8-7-14(18)2)10-9-15-5-4-6-17(11-15)13-19/h4-13H,3H2,1-2H3.
What are the key properties of 3-[2-(3-ethyl-4-methylphenyl)ethenyl]benzaldehyde?
3-[2-(3-ethyl-4-methylphenyl)ethenyl]benzaldehyde has a molecular weight of 250.34 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-ethyl-4-methylphenyl)ethenyl]benzaldehyde is sourced from PubChem (CID 123355717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).