2-methyl-2,4-diphenylbut-3-enal

C17H16O — CID 154114517

IUPAC2-methyl-2,4-diphenylbut-3-enal
SMILESCC(C=O)(C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O/c1-17(14-18,16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-14H,1H3
InChIKeyWVFOKLSBEHCVPO-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.86
Rot. Bonds4

About 2-methyl-2,4-diphenylbut-3-enal

2-methyl-2,4-diphenylbut-3-enal (PubChem CID 154114517) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-methyl-2,4-diphenylbut-3-enal.

Molecular Properties

Compound Name2-methyl-2,4-diphenylbut-3-enal
PubChem CID154114517
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name2-methyl-2,4-diphenylbut-3-enal
SMILESCC(C=O)(C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O/c1-17(14-18,16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-14H,1H3
InChIKeyWVFOKLSBEHCVPO-UHFFFAOYSA-N
XLogP3.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.86
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

(Z)-1,1,3-triphenylprop-2-en-1-ol
CID 92856099
1-methoxy-4-(3-methyl-3-phenylpenta-1,4-dienyl)benzene
CID 123460289
1-[2,3-dimethyl-3-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]butan-2-yl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 101407026
2,2-diformyl-4-phenylbut-3-enoic acid
CID 87164752
(E,2R,3R)-2-methyl-2,3,5-triphenylpent-4-enal
CID 100913808
(E)-1-dimethylphosphoryl-1,3-diphenylprop-2-en-1-ol
CID 13196807
acetaldehyde;buta-1,3-dienylbenzene
CID 173416032
3,3-dimethylbut-1-enylbenzene;1,2-xylene
CID 173385889
2-methyl-4-phenylbut-3-ene-2-sulfonamide
CID 174855476
(E)-2-ethenyl-2-methyl-4-phenylbut-3-enoic acid
CID 13110783
(E)-4-phenyl-2-trimethylsilylbut-3-en-2-ol
CID 102406299
(Z)-1,3-diphenyl-1-pyridin-3-ylprop-2-en-1-ol
CID 6446244

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,4-diphenylbut-3-enal?
The IUPAC name of 2-methyl-2,4-diphenylbut-3-enal (CID 154114517) is 2-methyl-2,4-diphenylbut-3-enal.
What is the SMILES notation for 2-methyl-2,4-diphenylbut-3-enal?
The canonical SMILES for 2-methyl-2,4-diphenylbut-3-enal is CC(C=O)(C=Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-methyl-2,4-diphenylbut-3-enal?
The InChIKey is WVFOKLSBEHCVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-17(14-18,16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-14H,1H3.
What are the key properties of 2-methyl-2,4-diphenylbut-3-enal?
2-methyl-2,4-diphenylbut-3-enal has a molecular weight of 236.31 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,4-diphenylbut-3-enal is sourced from PubChem (CID 154114517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).