4-[1-(4-butylphenyl)ethenyl]benzaldehyde

C19H20O — CID 87673195

IUPAC4-[1-(4-butylphenyl)ethenyl]benzaldehyde
SMILESC=C(c1ccc(C=O)cc1)c1ccc(CCCC)cc1
InChIInChI=1S/C19H20O/c1-3-4-5-16-6-10-18(11-7-16)15(2)19-12-8-17(14-20)9-13-19/h6-14H,2-5H2,1H3
InChIKeyGEJJJGPPZXKCSJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.90
Rot. Bonds6

About 4-[1-(4-butylphenyl)ethenyl]benzaldehyde

4-[1-(4-butylphenyl)ethenyl]benzaldehyde (PubChem CID 87673195) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[1-(4-butylphenyl)ethenyl]benzaldehyde.

Molecular Properties

Compound Name4-[1-(4-butylphenyl)ethenyl]benzaldehyde
PubChem CID87673195
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name4-[1-(4-butylphenyl)ethenyl]benzaldehyde
SMILESC=C(c1ccc(C=O)cc1)c1ccc(CCCC)cc1
InChIInChI=1S/C19H20O/c1-3-4-5-16-6-10-18(11-7-16)15(2)19-12-8-17(14-20)9-13-19/h6-14H,2-5H2,1H3
InChIKeyGEJJJGPPZXKCSJ-UHFFFAOYSA-N
XLogP4.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-butylphenyl)ethenyl]benzaldehyde?
The IUPAC name of 4-[1-(4-butylphenyl)ethenyl]benzaldehyde (CID 87673195) is 4-[1-(4-butylphenyl)ethenyl]benzaldehyde.
What is the SMILES notation for 4-[1-(4-butylphenyl)ethenyl]benzaldehyde?
The canonical SMILES for 4-[1-(4-butylphenyl)ethenyl]benzaldehyde is C=C(c1ccc(C=O)cc1)c1ccc(CCCC)cc1.
What is the InChIKey of 4-[1-(4-butylphenyl)ethenyl]benzaldehyde?
The InChIKey is GEJJJGPPZXKCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O/c1-3-4-5-16-6-10-18(11-7-16)15(2)19-12-8-17(14-20)9-13-19/h6-14H,2-5H2,1H3.
What are the key properties of 4-[1-(4-butylphenyl)ethenyl]benzaldehyde?
4-[1-(4-butylphenyl)ethenyl]benzaldehyde has a molecular weight of 264.37 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-butylphenyl)ethenyl]benzaldehyde is sourced from PubChem (CID 87673195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).