(2-ethenoxy-1-phenylethyl) prop-2-enoate

C13H14O3 — CID 150761582

IUPAC(2-ethenoxy-1-phenylethyl) prop-2-enoate
SMILESC=COCC(OC(=O)C=C)c1ccccc1
InChIInChI=1S/C13H14O3/c1-3-13(14)16-12(10-15-4-2)11-8-6-5-7-9-11/h3-9,12H,1-2,10H2
InChIKeyJXYGGQSTTHRJGC-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.62
Rot. Bonds6

About (2-ethenoxy-1-phenylethyl) prop-2-enoate

(2-ethenoxy-1-phenylethyl) prop-2-enoate (PubChem CID 150761582) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is (2-ethenoxy-1-phenylethyl) prop-2-enoate.

Molecular Properties

Compound Name(2-ethenoxy-1-phenylethyl) prop-2-enoate
PubChem CID150761582
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name(2-ethenoxy-1-phenylethyl) prop-2-enoate
SMILESC=COCC(OC(=O)C=C)c1ccccc1
InChIInChI=1S/C13H14O3/c1-3-13(14)16-12(10-15-4-2)11-8-6-5-7-9-11/h3-9,12H,1-2,10H2
InChIKeyJXYGGQSTTHRJGC-UHFFFAOYSA-N
XLogP2.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.62
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

[(1R)-1-phenylbut-3-enyl] prop-2-enoate
CID 11195026
1-phenylpropyl prop-2-enoate;sulfuric acid
CID 174783209
1-phenylethyl prop-2-enoate
CID 175321764
(E)-4-oxo-4-(1-phenylbut-3-enoxy)but-2-enoic acid
CID 18458468
(2-phenyl-2-prop-2-enylperoxyethyl) prop-2-enoate
CID 58091840
1-phenylbut-3-enyl carbamate
CID 126509930
[2-phenyl-2-(4-phenylphenoxy)ethyl] prop-2-enoate
CID 150733886
(2-phenyl-2-prop-2-enoyloxyethyl) 9-oxothioxanthene-2-carboxylate
CID 89094259
[(1R)-2-methoxy-1-phenylethyl] acetate
CID 101055201
[(2S)-2-phenyl-2-[(E)-3-phenylprop-2-enoyl]oxyethyl] (E)-3-phenylprop-2-enoate
CID 138534410
[(1R,2S,3S)-1,2-dihydroxy-1-phenylhex-5-en-3-yl] prop-2-enoate
CID 135009042
[(1S,2R,3R)-1,2-dihydroxy-1-phenylhex-5-en-3-yl] prop-2-enoate
CID 134855892

Frequently Asked Questions

What is the IUPAC name of (2-ethenoxy-1-phenylethyl) prop-2-enoate?
The IUPAC name of (2-ethenoxy-1-phenylethyl) prop-2-enoate (CID 150761582) is (2-ethenoxy-1-phenylethyl) prop-2-enoate.
What is the SMILES notation for (2-ethenoxy-1-phenylethyl) prop-2-enoate?
The canonical SMILES for (2-ethenoxy-1-phenylethyl) prop-2-enoate is C=COCC(OC(=O)C=C)c1ccccc1.
What is the InChIKey of (2-ethenoxy-1-phenylethyl) prop-2-enoate?
The InChIKey is JXYGGQSTTHRJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-3-13(14)16-12(10-15-4-2)11-8-6-5-7-9-11/h3-9,12H,1-2,10H2.
What are the key properties of (2-ethenoxy-1-phenylethyl) prop-2-enoate?
(2-ethenoxy-1-phenylethyl) prop-2-enoate has a molecular weight of 218.25 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenoxy-1-phenylethyl) prop-2-enoate is sourced from PubChem (CID 150761582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).