ethyl (E)-5-ethenoxy-4-phenylpent-2-enoate

C15H18O3 — CID 102022005

IUPACethyl (E)-5-ethenoxy-4-phenylpent-2-enoate
SMILESC=COCC(/C=C/C(=O)OCC)c1ccccc1
InChIInChI=1S/C15H18O3/c1-3-17-12-14(10-11-15(16)18-4-2)13-8-6-5-7-9-13/h3,5-11,14H,1,4,12H2,2H3/b11-10+
InChIKeyNHCOOVJGGPNESK-ZHACJKMWSA-N
MW246.31 g/mol
LogP3.05
Rot. Bonds7

About ethyl (E)-5-ethenoxy-4-phenylpent-2-enoate

ethyl (E)-5-ethenoxy-4-phenylpent-2-enoate (PubChem CID 102022005) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethyl (E)-5-ethenoxy-4-phenylpent-2-enoate.

Molecular Properties

Compound Nameethyl (E)-5-ethenoxy-4-phenylpent-2-enoate
PubChem CID102022005
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Nameethyl (E)-5-ethenoxy-4-phenylpent-2-enoate
SMILESC=COCC(/C=C/C(=O)OCC)c1ccccc1
InChIInChI=1S/C15H18O3/c1-3-17-12-14(10-11-15(16)18-4-2)13-8-6-5-7-9-13/h3,5-11,14H,1,4,12H2,2H3/b11-10+
InChIKeyNHCOOVJGGPNESK-ZHACJKMWSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-6-bromo-4-phenylhex-2-enoate
CID 102293722
[(E)-3-ethoxy-3-oxoprop-1-enyl]-triphenylphosphanium
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CID 102386384
ethyl (E,5S)-5-amino-5-phenylpent-2-enoate
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ethyl (Z,4R)-4-methyl-5-phenylmethoxypent-2-enoate
CID 11253675
methyl (E)-5-hydroxy-4-phenylpent-2-enoate
CID 11041917
ethyl (E)-4-azido-5-hydroxy-5-phenylpent-2-enoate
CID 15205683
1-O-ethyl 4-O-[(2R)-2-phenyl-2-(propanoylamino)ethyl] (E)-but-2-enedioate
CID 126492381
4-ethoxy-4-oxobut-2-enoic acid;styrene
CID 67582613
ethyl (E)-but-2-enoate;styrene
CID 174773304
(2-ethenoxy-1-phenylethyl) prop-2-enoate
CID 150761582
ethyl (4E)-5-phenylpenta-2,4-dienoate
CID 173106795

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-5-ethenoxy-4-phenylpent-2-enoate?
The IUPAC name of ethyl (E)-5-ethenoxy-4-phenylpent-2-enoate (CID 102022005) is ethyl (E)-5-ethenoxy-4-phenylpent-2-enoate.
What is the SMILES notation for ethyl (E)-5-ethenoxy-4-phenylpent-2-enoate?
The canonical SMILES for ethyl (E)-5-ethenoxy-4-phenylpent-2-enoate is C=COCC(/C=C/C(=O)OCC)c1ccccc1.
What is the InChIKey of ethyl (E)-5-ethenoxy-4-phenylpent-2-enoate?
The InChIKey is NHCOOVJGGPNESK-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H18O3/c1-3-17-12-14(10-11-15(16)18-4-2)13-8-6-5-7-9-13/h3,5-11,14H,1,4,12H2,2H3/b11-10+.
What are the key properties of ethyl (E)-5-ethenoxy-4-phenylpent-2-enoate?
ethyl (E)-5-ethenoxy-4-phenylpent-2-enoate has a molecular weight of 246.31 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-5-ethenoxy-4-phenylpent-2-enoate is sourced from PubChem (CID 102022005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).