2-acetyloxyethyl 3-phenylprop-2-enoate

C13H14O4 — CID 137478335

IUPAC2-acetyloxyethyl 3-phenylprop-2-enoate
SMILESCC(=O)OCCOC(=O)C=Cc1ccccc1
InChIInChI=1S/C13H14O4/c1-11(14)16-9-10-17-13(15)8-7-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3
InChIKeyVJSHYHUXXJVLKW-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.81
Rot. Bonds5

About 2-acetyloxyethyl 3-phenylprop-2-enoate

2-acetyloxyethyl 3-phenylprop-2-enoate (PubChem CID 137478335) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-acetyloxyethyl 3-phenylprop-2-enoate.

Molecular Properties

Compound Name2-acetyloxyethyl 3-phenylprop-2-enoate
PubChem CID137478335
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name2-acetyloxyethyl 3-phenylprop-2-enoate
SMILESCC(=O)OCCOC(=O)C=Cc1ccccc1
InChIInChI=1S/C13H14O4/c1-11(14)16-9-10-17-13(15)8-7-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3
InChIKeyVJSHYHUXXJVLKW-UHFFFAOYSA-N
XLogP1.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl acetate;ethyl (E)-3-phenylprop-2-enoate
CID 163289975
2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate
CID 53424506
2-ethenoxyethyl 3-phenylprop-2-enoate
CID 54391512
ethyl acetate;(Z)-3-phenylprop-2-enoic acid
CID 174849368
2-(3-phenylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;styrene
CID 175223098
2-(3-phenylprop-2-enoyloxy)ethyl 2,2-dimethylbutanoate
CID 74046505
acetyl 3-phenylprop-2-enoate
CID 57206996
3-[(E)-3-phenylprop-2-enoyl]oxypropylazanium
CID 58816851
triethyl-[2-(3-phenylprop-2-enoyloxy)ethyl]azanium
CID 123772067
[2-acetyloxy-3-[(E)-3-phenylprop-2-enoyl]oxypropyl] (E)-3-phenylprop-2-enoate
CID 71619029
2-methylidene-4-(3-phenylprop-2-enoyloxy)butanoic acid
CID 57040443
4-bromobutyl 3-phenylprop-2-enoate
CID 72801384

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxyethyl 3-phenylprop-2-enoate?
The IUPAC name of 2-acetyloxyethyl 3-phenylprop-2-enoate (CID 137478335) is 2-acetyloxyethyl 3-phenylprop-2-enoate.
What is the SMILES notation for 2-acetyloxyethyl 3-phenylprop-2-enoate?
The canonical SMILES for 2-acetyloxyethyl 3-phenylprop-2-enoate is CC(=O)OCCOC(=O)C=Cc1ccccc1.
What is the InChIKey of 2-acetyloxyethyl 3-phenylprop-2-enoate?
The InChIKey is VJSHYHUXXJVLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c1-11(14)16-9-10-17-13(15)8-7-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3.
What are the key properties of 2-acetyloxyethyl 3-phenylprop-2-enoate?
2-acetyloxyethyl 3-phenylprop-2-enoate has a molecular weight of 234.25 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxyethyl 3-phenylprop-2-enoate is sourced from PubChem (CID 137478335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).