[(2S)-2-phenyl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate

C26H22O4 — CID 138534410

IUPAC[(2S)-2-phenyl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)OC[C@@H](OC(=O)/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22O4/c27-25(18-16-21-10-4-1-5-11-21)29-20-24(23-14-8-3-9-15-23)30-26(28)19-17-22-12-6-2-7-13-22/h1-19,24H,20H2/b18-16+,19-17+/t24-/m1/s1
InChIKeyYCHUNNSCWYUCEV-FTPSWSJGSA-N
MW398.46 g/mol
LogP5.24
Rot. Bonds8

About [(2S)-2-phenyl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate

[(2S)-2-phenyl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate (PubChem CID 138534410) has the molecular formula C26H22O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is [(2S)-2-phenyl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[(2S)-2-phenyl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate
PubChem CID138534410
Molecular FormulaC26H22O4
Molecular Weight398.46 g/mol
Exact Mass398.15
IUPAC Name[(2S)-2-phenyl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)OC[C@@H](OC(=O)/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22O4/c27-25(18-16-21-10-4-1-5-11-21)29-20-24(23-14-8-3-9-15-23)30-26(28)19-17-22-12-6-2-7-13-22/h1-19,24H,20H2/b18-16+,19-17+/t24-/m1/s1
InChIKeyYCHUNNSCWYUCEV-FTPSWSJGSA-N
XLogP5.24
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-(4-methoxyphenyl)-2-(3-phenylprop-2-enoyloxy)ethyl] (E)-3-phenylprop-2-enoate
CID 130362732
[(2S)-2-(1,3-benzodioxol-5-yl)-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate
CID 138534638
[2-acetyloxy-3-[(E)-3-phenylprop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate
CID 71619029
diaminomethyl 3-phenylprop-2-enoate
CID 59346009
[(E)-1-(4-methylphenyl)-4-phenylbut-3-enyl] (E)-3-phenylprop-2-enoate
CID 145067041
[2-(azepan-1-ium-1-yl)-1-phenylethyl] (E)-3-phenylprop-2-enoate chloride
CID 6435799
1-O-(2-methylpropyl) 4-O-(1-phenylpropyl) (E)-but-2-enedioate
CID 91721891
2-butylhexyl (E)-3-phenylprop-2-enoate
CID 175008206
formamide;[(E)-1-(4-methylphenyl)-4-phenylbut-3-enyl] (E)-3-phenylprop-2-enoate
CID 145067040
1,2-diaminoethyl 3-phenylprop-2-enoate
CID 151604287
methyl 2-amino-3-(3-phenylprop-2-enoyloxy)propanoate
CID 54051865
(2-hydroxy-3-oxo-3-phenylpropyl) (E)-3-phenylprop-2-enoate
CID 11197215

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-phenyl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate?
The IUPAC name of [(2S)-2-phenyl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate (CID 138534410) is [(2S)-2-phenyl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [(2S)-2-phenyl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [(2S)-2-phenyl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate is O=C(/C=C/c1ccccc1)OC[C@@H](OC(=O)/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S)-2-phenyl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate?
The InChIKey is YCHUNNSCWYUCEV-FTPSWSJGSA-N. The full InChI is InChI=1S/C26H22O4/c27-25(18-16-21-10-4-1-5-11-21)29-20-24(23-14-8-3-9-15-23)30-26(28)19-17-22-12-6-2-7-13-22/h1-19,24H,20H2/b18-16+,19-17+/t24-/m1/s1.
What are the key properties of [(2S)-2-phenyl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate?
[(2S)-2-phenyl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate has a molecular weight of 398.46 g/mol, XLogP of 5.24, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-phenyl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 138534410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).