4,4-diphenylbut-2-enal

C16H14O — CID 154401916

IUPAC4,4-diphenylbut-2-enal
SMILESO=CC=CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O/c17-13-7-12-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,16H
InChIKeyACYRBRFEQNIRFF-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.57
Rot. Bonds4

About 4,4-diphenylbut-2-enal

4,4-diphenylbut-2-enal (PubChem CID 154401916) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4,4-diphenylbut-2-enal.

Molecular Properties

Compound Name4,4-diphenylbut-2-enal
PubChem CID154401916
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name4,4-diphenylbut-2-enal
SMILESO=CC=CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O/c17-13-7-12-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,16H
InChIKeyACYRBRFEQNIRFF-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6,6-diphenylhex-2-enal
CID 175012355
(4-chloro-1-phenylbut-2-enyl)benzene
CID 57017373
N-[(E)-3,3-diphenylprop-1-enyl]-1,1-diphenylmethanimine
CID 132538764
(E)-5-phenylhept-2-enal
CID 122379804
(E)-4-phenylmethoxypent-2-enal
CID 59042461
(2Z,4S,5Z)-4,5-dimethyl-6-phenylhexa-2,5-dienal
CID 142809063
2-(3,5-difluorophenyl)-2-phenylacetaldehyde
CID 87253871
4-(3,3-diphenylprop-1-enyl)phenol
CID 174315137
1-bromo-4-[(E)-3,3-diphenylprop-1-enyl]benzene
CID 132851009
2-(2-methylphenyl)-2-phenylacetaldehyde
CID 76507098
(2R)-2-hydroxy-2-phenylacetic acid;(E)-3-phenylprop-2-enal
CID 175262474
alumane;(E)-3-phenylprop-2-enal
CID 173462374

Frequently Asked Questions

What is the IUPAC name of 4,4-diphenylbut-2-enal?
The IUPAC name of 4,4-diphenylbut-2-enal (CID 154401916) is 4,4-diphenylbut-2-enal.
What is the SMILES notation for 4,4-diphenylbut-2-enal?
The canonical SMILES for 4,4-diphenylbut-2-enal is O=CC=CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 4,4-diphenylbut-2-enal?
The InChIKey is ACYRBRFEQNIRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O/c17-13-7-12-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,16H.
What are the key properties of 4,4-diphenylbut-2-enal?
4,4-diphenylbut-2-enal has a molecular weight of 222.29 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diphenylbut-2-enal is sourced from PubChem (CID 154401916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).