[(E)-1-(4-methylphenyl)-4-phenylbut-3-enyl] (E)-3-phenylprop-2-enoate

C26H24O2 — CID 145067041

IUPAC[(E)-1-(4-methylphenyl)-4-phenylbut-3-enyl] (E)-3-phenylprop-2-enoate
SMILESCc1ccc(C(C/C=C/c2ccccc2)OC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C26H24O2/c1-21-15-18-24(19-16-21)25(14-8-13-22-9-4-2-5-10-22)28-26(27)20-17-23-11-6-3-7-12-23/h2-13,15-20,25H,14H2,1H3/b13-8+,20-17+
InChIKeyMFXDPQHTQXJNNR-GDVPXNOZSA-N
MW368.48 g/mol
LogP6.40
Rot. Bonds7

About [(E)-1-(4-methylphenyl)-4-phenylbut-3-enyl] (E)-3-phenylprop-2-enoate

[(E)-1-(4-methylphenyl)-4-phenylbut-3-enyl] (E)-3-phenylprop-2-enoate (PubChem CID 145067041) has the molecular formula C26H24O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is [(E)-1-(4-methylphenyl)-4-phenylbut-3-enyl] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[(E)-1-(4-methylphenyl)-4-phenylbut-3-enyl] (E)-3-phenylprop-2-enoate
PubChem CID145067041
Molecular FormulaC26H24O2
Molecular Weight368.48 g/mol
Exact Mass368.18
IUPAC Name[(E)-1-(4-methylphenyl)-4-phenylbut-3-enyl] (E)-3-phenylprop-2-enoate
SMILESCc1ccc(C(C/C=C/c2ccccc2)OC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C26H24O2/c1-21-15-18-24(19-16-21)25(14-8-13-22-9-4-2-5-10-22)28-26(27)20-17-23-11-6-3-7-12-23/h2-13,15-20,25H,14H2,1H3/b13-8+,20-17+
InChIKeyMFXDPQHTQXJNNR-GDVPXNOZSA-N
XLogP6.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(E)-1-(4-methylphenyl)-4-phenylbut-3-enyl] (E)-3-phenylprop-2-enoate with MolForge

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Related Compounds

formamide;[(E)-1-(4-methylphenyl)-4-phenylbut-3-enyl] (E)-3-phenylprop-2-enoate
CID 145067040
benzhydryl (E)-3-(4-methylphenyl)prop-2-enoate
CID 7187389
[(2S)-2-phenyl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate
CID 138534410
[(2S)-2-(4-methoxyphenyl)-2-(3-phenylprop-2-enoyloxy)ethyl] (E)-3-phenylprop-2-enoate
CID 130362732
diaminomethyl 3-phenylprop-2-enoate
CID 59346009
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (E)-3-(4-methylphenyl)prop-2-enoate
CID 7187582
1-chloropropyl (E)-3-phenylprop-2-enoate
CID 19931493
1-hydroxy-1-(4-methylphenyl)-4-phenylbut-3-en-2-one
CID 4661079
(E)-5-(4-methylphenyl)-1-phenylhex-1-en-3-one
CID 6073038
3-methylbutan-2-yl (E)-3-phenylprop-2-enoate
CID 166681148
difluoromethyl 3-phenylprop-2-enoate
CID 175215356
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] (E)-3-phenylprop-2-enoate
CID 9415418

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(4-methylphenyl)-4-phenylbut-3-enyl] (E)-3-phenylprop-2-enoate?
The IUPAC name of [(E)-1-(4-methylphenyl)-4-phenylbut-3-enyl] (E)-3-phenylprop-2-enoate (CID 145067041) is [(E)-1-(4-methylphenyl)-4-phenylbut-3-enyl] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [(E)-1-(4-methylphenyl)-4-phenylbut-3-enyl] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [(E)-1-(4-methylphenyl)-4-phenylbut-3-enyl] (E)-3-phenylprop-2-enoate is Cc1ccc(C(C/C=C/c2ccccc2)OC(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of [(E)-1-(4-methylphenyl)-4-phenylbut-3-enyl] (E)-3-phenylprop-2-enoate?
The InChIKey is MFXDPQHTQXJNNR-GDVPXNOZSA-N. The full InChI is InChI=1S/C26H24O2/c1-21-15-18-24(19-16-21)25(14-8-13-22-9-4-2-5-10-22)28-26(27)20-17-23-11-6-3-7-12-23/h2-13,15-20,25H,14H2,1H3/b13-8+,20-17+.
What are the key properties of [(E)-1-(4-methylphenyl)-4-phenylbut-3-enyl] (E)-3-phenylprop-2-enoate?
[(E)-1-(4-methylphenyl)-4-phenylbut-3-enyl] (E)-3-phenylprop-2-enoate has a molecular weight of 368.48 g/mol, XLogP of 6.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(4-methylphenyl)-4-phenylbut-3-enyl] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 145067041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).