4-(3-phenylphenyl)but-3-enal

C16H14O — CID 170482618

IUPAC4-(3-phenylphenyl)but-3-enal
SMILESO=CCC=Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H14O/c17-12-5-4-7-14-8-6-11-16(13-14)15-9-2-1-3-10-15/h1-4,6-13H,5H2
InChIKeyVEWYZLYGQWFYEY-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.96
Rot. Bonds4

About 4-(3-phenylphenyl)but-3-enal

4-(3-phenylphenyl)but-3-enal (PubChem CID 170482618) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(3-phenylphenyl)but-3-enal.

Molecular Properties

Compound Name4-(3-phenylphenyl)but-3-enal
PubChem CID170482618
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name4-(3-phenylphenyl)but-3-enal
SMILESO=CCC=Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C16H14O/c17-12-5-4-7-14-8-6-11-16(13-14)15-9-2-1-3-10-15/h1-4,6-13H,5H2
InChIKeyVEWYZLYGQWFYEY-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.96
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

1-[(Z)-pent-1-enyl]-3-phenylbenzene
CID 177453433
4-[3-(sulfanylmethyl)phenyl]but-3-enal
CID 170481387
[(E)-4-(3-phenylphenyl)-1-phosphonobut-3-enyl]phosphonic acid
CID 19814129
4-(3-propan-2-ylphenyl)but-3-enal
CID 170481683
4-(3-propan-2-ylsulfonylphenyl)but-3-enal
CID 170482671
4-(3-methylsulfonylphenyl)but-3-enal
CID 170482085
3-(4-oxobut-1-enyl)benzenecarboximidamide
CID 170481809
4-[3-(methylaminomethyl)phenyl]but-3-enal
CID 170481882
4-(3-propoxyphenyl)but-3-enal
CID 170482159
2-[(E)-2-phenylethenyl]azulene
CID 12674002
propyl 3-(3-phenylphenyl)prop-2-enoate
CID 135124125
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylphenyl)but-3-enal?
The IUPAC name of 4-(3-phenylphenyl)but-3-enal (CID 170482618) is 4-(3-phenylphenyl)but-3-enal.
What is the SMILES notation for 4-(3-phenylphenyl)but-3-enal?
The canonical SMILES for 4-(3-phenylphenyl)but-3-enal is O=CCC=Cc1cccc(-c2ccccc2)c1.
What is the InChIKey of 4-(3-phenylphenyl)but-3-enal?
The InChIKey is VEWYZLYGQWFYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O/c17-12-5-4-7-14-8-6-11-16(13-14)15-9-2-1-3-10-15/h1-4,6-13H,5H2.
What are the key properties of 4-(3-phenylphenyl)but-3-enal?
4-(3-phenylphenyl)but-3-enal has a molecular weight of 222.29 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylphenyl)but-3-enal is sourced from PubChem (CID 170482618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).