ethyl 2-phenylpent-2-enoate

C13H16O2 — CID 148550128

IUPACethyl 2-phenylpent-2-enoate
SMILESCCC=C(C(=O)OCC)c1ccccc1
InChIInChI=1S/C13H16O2/c1-3-8-12(13(14)15-4-2)11-9-6-5-7-10-11/h5-10H,3-4H2,1-2H3
InChIKeyXJDOVGWHMCHBNL-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.04
Rot. Bonds4

About ethyl 2-phenylpent-2-enoate

ethyl 2-phenylpent-2-enoate (PubChem CID 148550128) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is ethyl 2-phenylpent-2-enoate.

Molecular Properties

Compound Nameethyl 2-phenylpent-2-enoate
PubChem CID148550128
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Nameethyl 2-phenylpent-2-enoate
SMILESCCC=C(C(=O)OCC)c1ccccc1
InChIInChI=1S/C13H16O2/c1-3-8-12(13(14)15-4-2)11-9-6-5-7-10-11/h5-10H,3-4H2,1-2H3
InChIKeyXJDOVGWHMCHBNL-UHFFFAOYSA-N
XLogP3.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z)-3-hydroxy-2-phenylprop-2-enoate
CID 12898650
ethyl (Z)-3-amino-2-phenylprop-2-enoate
CID 168921248
diethyl 2-hydroxy-5-phenylhexa-2,4-dienedioate
CID 54729638
ethyl (E)-4-oxo-2-phenylbut-2-enoate
CID 122364112
ethyl 3-(dimethylamino)-2-phenylprop-2-enoate
CID 57057517
3-phenylhex-3-en-2-one
CID 130637770
(E)-1,2-diphenylpent-2-en-1-one
CID 14568344
ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylprop-2-enoate
CID 11844681
ethyl 2-oxo-2-phenylacetate
CID 15349
ethyl (E)-2-phenyl-3-pyridin-4-ylprop-2-enoate
CID 71746947
diethyl (E)-4,4-difluoro-2-phenylpent-2-enedioate
CID 162408755
triethyl (1Z,3E)-3-phenylbuta-1,3-diene-1,2,4-tricarboxylate
CID 102274076

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenylpent-2-enoate?
The IUPAC name of ethyl 2-phenylpent-2-enoate (CID 148550128) is ethyl 2-phenylpent-2-enoate.
What is the SMILES notation for ethyl 2-phenylpent-2-enoate?
The canonical SMILES for ethyl 2-phenylpent-2-enoate is CCC=C(C(=O)OCC)c1ccccc1.
What is the InChIKey of ethyl 2-phenylpent-2-enoate?
The InChIKey is XJDOVGWHMCHBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-3-8-12(13(14)15-4-2)11-9-6-5-7-10-11/h5-10H,3-4H2,1-2H3.
What are the key properties of ethyl 2-phenylpent-2-enoate?
ethyl 2-phenylpent-2-enoate has a molecular weight of 204.27 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenylpent-2-enoate is sourced from PubChem (CID 148550128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).