ethyl (E,3E)-3-benzylidene-5-phenylpent-4-enoate

C20H20O2 — CID 101488319

IUPACethyl (E,3E)-3-benzylidene-5-phenylpent-4-enoate
SMILESCCOC(=O)CC(/C=C/c1ccccc1)=C\c1ccccc1
InChIInChI=1S/C20H20O2/c1-2-22-20(21)16-19(15-18-11-7-4-8-12-18)14-13-17-9-5-3-6-10-17/h3-15H,2,16H2,1H3/b14-13+,19-15-
InChIKeyFHZWVVVFSYRSSI-MYCMRBOKSA-N
MW292.38 g/mol
LogP4.74
Rot. Bonds6

About ethyl (E,3E)-3-benzylidene-5-phenylpent-4-enoate

ethyl (E,3E)-3-benzylidene-5-phenylpent-4-enoate (PubChem CID 101488319) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl (E,3E)-3-benzylidene-5-phenylpent-4-enoate.

Molecular Properties

Compound Nameethyl (E,3E)-3-benzylidene-5-phenylpent-4-enoate
PubChem CID101488319
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Nameethyl (E,3E)-3-benzylidene-5-phenylpent-4-enoate
SMILESCCOC(=O)CC(/C=C/c1ccccc1)=C\c1ccccc1
InChIInChI=1S/C20H20O2/c1-2-22-20(21)16-19(15-18-11-7-4-8-12-18)14-13-17-9-5-3-6-10-17/h3-15H,2,16H2,1H3/b14-13+,19-15-
InChIKeyFHZWVVVFSYRSSI-MYCMRBOKSA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E,3E)-5-phenyl-3-[[4-(trifluoromethyl)phenyl]methylidene]pent-4-enoate
CID 101488311
ethyl (E)-3,5-dioxo-7-phenylhept-6-enoate
CID 14222370
ethyl (E)-2,4-dioxo-6-phenylhex-5-enoate
CID 5374346
ethyl carbamate;(E)-3-phenylprop-2-enoic acid
CID 70467325
ethyl acetate;(Z)-3-phenylprop-2-enoic acid
CID 174849368
ethyl 2-methylidene-4-phenylbut-3-enoate
CID 54282000
ethyl acetate;ethyl (E)-3-phenylprop-2-enoate
CID 163289975
ethyl acetate;stilbene
CID 159556390
ethyl carbamate;stilbene
CID 175156091
diethyl 2-(3-phenylprop-2-enoylamino)propanedioate
CID 141472099
ethyl (E,2S)-2-hydroxy-4-oxo-6-phenylhex-5-enoate
CID 56851553
[(E)-1-ethoxy-3-phenylprop-2-enylidene]manganese
CID 11121228

Frequently Asked Questions

What is the IUPAC name of ethyl (E,3E)-3-benzylidene-5-phenylpent-4-enoate?
The IUPAC name of ethyl (E,3E)-3-benzylidene-5-phenylpent-4-enoate (CID 101488319) is ethyl (E,3E)-3-benzylidene-5-phenylpent-4-enoate.
What is the SMILES notation for ethyl (E,3E)-3-benzylidene-5-phenylpent-4-enoate?
The canonical SMILES for ethyl (E,3E)-3-benzylidene-5-phenylpent-4-enoate is CCOC(=O)CC(/C=C/c1ccccc1)=C\c1ccccc1.
What is the InChIKey of ethyl (E,3E)-3-benzylidene-5-phenylpent-4-enoate?
The InChIKey is FHZWVVVFSYRSSI-MYCMRBOKSA-N. The full InChI is InChI=1S/C20H20O2/c1-2-22-20(21)16-19(15-18-11-7-4-8-12-18)14-13-17-9-5-3-6-10-17/h3-15H,2,16H2,1H3/b14-13+,19-15-.
What are the key properties of ethyl (E,3E)-3-benzylidene-5-phenylpent-4-enoate?
ethyl (E,3E)-3-benzylidene-5-phenylpent-4-enoate has a molecular weight of 292.38 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,3E)-3-benzylidene-5-phenylpent-4-enoate is sourced from PubChem (CID 101488319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).