[(2E,4E)-5-phenylpenta-2,4-dienyl] (E)-3-phenylprop-2-enoate

C20H18O2 — CID 53253335

IUPAC[(2E,4E)-5-phenylpenta-2,4-dienyl] (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)OC/C=C/C=C/c1ccccc1
InChIInChI=1S/C20H18O2/c21-20(16-15-19-13-6-2-7-14-19)22-17-9-3-8-12-18-10-4-1-5-11-18/h1-16H,17H2/b9-3+,12-8+,16-15+
InChIKeyXTTWBZGTELAONR-VFQUOIRDSA-N
MW290.36 g/mol
LogP4.51
Rot. Bonds6

About [(2E,4E)-5-phenylpenta-2,4-dienyl] (E)-3-phenylprop-2-enoate

[(2E,4E)-5-phenylpenta-2,4-dienyl] (E)-3-phenylprop-2-enoate (PubChem CID 53253335) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is [(2E,4E)-5-phenylpenta-2,4-dienyl] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[(2E,4E)-5-phenylpenta-2,4-dienyl] (E)-3-phenylprop-2-enoate
PubChem CID53253335
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name[(2E,4E)-5-phenylpenta-2,4-dienyl] (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)OC/C=C/C=C/c1ccccc1
InChIInChI=1S/C20H18O2/c21-20(16-15-19-13-6-2-7-14-19)22-17-9-3-8-12-18-10-4-1-5-11-18/h1-16H,17H2/b9-3+,12-8+,16-15+
InChIKeyXTTWBZGTELAONR-VFQUOIRDSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis[(E)-3-phenylprop-2-enyl] (Z)-but-2-enedioate
CID 70543374
[(E)-3-phenylprop-2-enyl] (E)-but-2-enoate
CID 20693228
[(E)-3-phenylprop-2-enyl] butanoate;[(E)-3-phenylprop-2-enyl] (E)-3-phenylprop-2-enoate
CID 174922543
2-(3-phenylprop-2-enoyloxy)acetic acid
CID 54392103
ethyl (4E)-5-phenylpenta-2,4-dienoate
CID 173106795
[(E)-3-(4-trimethylsilyloxyphenyl)prop-2-enyl] (E)-3-phenylprop-2-enoate
CID 5352723
(2,3,4,5,6-pentadeuteriophenyl)methyl 3-phenylprop-2-enoate
CID 131878214
amino 3-phenylprop-2-enoate
CID 67189797
2-ethenoxyethyl 3-phenylprop-2-enoate
CID 54391512
5-phenylpenta-2,4-dienoic acid;prop-2-enyl prop-2-enoate
CID 173001061
2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate
CID 53424506
3-phenylprop-2-enoyloxymethylphosphonic acid
CID 123586829

Frequently Asked Questions

What is the IUPAC name of [(2E,4E)-5-phenylpenta-2,4-dienyl] (E)-3-phenylprop-2-enoate?
The IUPAC name of [(2E,4E)-5-phenylpenta-2,4-dienyl] (E)-3-phenylprop-2-enoate (CID 53253335) is [(2E,4E)-5-phenylpenta-2,4-dienyl] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [(2E,4E)-5-phenylpenta-2,4-dienyl] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [(2E,4E)-5-phenylpenta-2,4-dienyl] (E)-3-phenylprop-2-enoate is O=C(/C=C/c1ccccc1)OC/C=C/C=C/c1ccccc1.
What is the InChIKey of [(2E,4E)-5-phenylpenta-2,4-dienyl] (E)-3-phenylprop-2-enoate?
The InChIKey is XTTWBZGTELAONR-VFQUOIRDSA-N. The full InChI is InChI=1S/C20H18O2/c21-20(16-15-19-13-6-2-7-14-19)22-17-9-3-8-12-18-10-4-1-5-11-18/h1-16H,17H2/b9-3+,12-8+,16-15+.
What are the key properties of [(2E,4E)-5-phenylpenta-2,4-dienyl] (E)-3-phenylprop-2-enoate?
[(2E,4E)-5-phenylpenta-2,4-dienyl] (E)-3-phenylprop-2-enoate has a molecular weight of 290.36 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E)-5-phenylpenta-2,4-dienyl] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 53253335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).