4-(4-phenylbuta-1,3-dienyl)benzaldehyde

C17H14O — CID 71360938

IUPAC4-(4-phenylbuta-1,3-dienyl)benzaldehyde
SMILESO=Cc1ccc(C=CC=Cc2ccccc2)cc1
InChIInChI=1S/C17H14O/c18-14-17-12-10-16(11-13-17)9-5-4-8-15-6-2-1-3-7-15/h1-14H
InChIKeyJWMYOPCQYPDAER-UHFFFAOYSA-N
MW234.30 g/mol
LogP4.23
Rot. Bonds4

About 4-(4-phenylbuta-1,3-dienyl)benzaldehyde

4-(4-phenylbuta-1,3-dienyl)benzaldehyde (PubChem CID 71360938) has the molecular formula C17H14O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(4-phenylbuta-1,3-dienyl)benzaldehyde.

Molecular Properties

Compound Name4-(4-phenylbuta-1,3-dienyl)benzaldehyde
PubChem CID71360938
Molecular FormulaC17H14O
Molecular Weight234.30 g/mol
Exact Mass234.10
IUPAC Name4-(4-phenylbuta-1,3-dienyl)benzaldehyde
SMILESO=Cc1ccc(C=CC=Cc2ccccc2)cc1
InChIInChI=1S/C17H14O/c18-14-17-12-10-16(11-13-17)9-5-4-8-15-6-2-1-3-7-15/h1-14H
InChIKeyJWMYOPCQYPDAER-UHFFFAOYSA-N
XLogP4.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
benzaldehyde;hydrate
CID 86741597
benzene;terephthalaldehyde
CID 163498156
benzaldehyde;ethane
CID 54495732
benzaldehyde;ethene
CID 22005957
alumane;(E)-3-phenylprop-2-enal
CID 173462374
benzaldehyde;methanethiol
CID 142053607
benzaldehyde;formamide
CID 87258384
benzaldehyde;ethane;methanol
CID 143448374
sodium;benzaldehyde;formaldehyde;hydride
CID 173317417

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylbuta-1,3-dienyl)benzaldehyde?
The IUPAC name of 4-(4-phenylbuta-1,3-dienyl)benzaldehyde (CID 71360938) is 4-(4-phenylbuta-1,3-dienyl)benzaldehyde.
What is the SMILES notation for 4-(4-phenylbuta-1,3-dienyl)benzaldehyde?
The canonical SMILES for 4-(4-phenylbuta-1,3-dienyl)benzaldehyde is O=Cc1ccc(C=CC=Cc2ccccc2)cc1.
What is the InChIKey of 4-(4-phenylbuta-1,3-dienyl)benzaldehyde?
The InChIKey is JWMYOPCQYPDAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O/c18-14-17-12-10-16(11-13-17)9-5-4-8-15-6-2-1-3-7-15/h1-14H.
What are the key properties of 4-(4-phenylbuta-1,3-dienyl)benzaldehyde?
4-(4-phenylbuta-1,3-dienyl)benzaldehyde has a molecular weight of 234.30 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylbuta-1,3-dienyl)benzaldehyde is sourced from PubChem (CID 71360938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).