ethyl (E)-3-(4-propanoylphenyl)prop-2-enoate

C14H16O3 — CID 18348054

IUPACethyl (E)-3-(4-propanoylphenyl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(C(=O)CC)cc1
InChIInChI=1S/C14H16O3/c1-3-13(15)12-8-5-11(6-9-12)7-10-14(16)17-4-2/h5-10H,3-4H2,1-2H3/b10-7+
InChIKeyUHGOOCIJRUHTIE-JXMROGBWSA-N
MW232.28 g/mol
LogP2.86
Rot. Bonds5

About ethyl (E)-3-(4-propanoylphenyl)prop-2-enoate

ethyl (E)-3-(4-propanoylphenyl)prop-2-enoate (PubChem CID 18348054) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl (E)-3-(4-propanoylphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(4-propanoylphenyl)prop-2-enoate
PubChem CID18348054
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Nameethyl (E)-3-(4-propanoylphenyl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(C(=O)CC)cc1
InChIInChI=1S/C14H16O3/c1-3-13(15)12-8-5-11(6-9-12)7-10-14(16)17-4-2/h5-10H,3-4H2,1-2H3/b10-7+
InChIKeyUHGOOCIJRUHTIE-JXMROGBWSA-N
XLogP2.86
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (E)-3-(4-propanoylphenyl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[4-(3-ethoxy-3-oxoprop-1-enyl)phenyl]-4-oxobutanoate
CID 169481133
ethyl 3-(4-benzoylphenyl)prop-2-enoate
CID 73018400
(E)-3-(4-propanoylphenyl)prop-2-enoic acid
CID 18348058
ethyl 3-(3,4-diaminophenyl)prop-2-enoate
CID 169480115
N-hydroxy-3-(4-propanoylphenyl)prop-2-enamide
CID 141299879
ethyl (E)-3-[4-(4-bromophenyl)phenyl]prop-2-enoate
CID 10544468
ethyl (Z)-3-(4-methylsulfonylphenyl)prop-2-enoate
CID 86308026
ethyl 3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate
CID 169480970
ethyl (E)-3-(4-benzylphenyl)prop-2-enoate
CID 67528407
ethyl 3-[4-(N-[4-(3-ethoxy-3-oxoprop-1-enyl)phenyl]anilino)phenyl]prop-2-enoate
CID 139035919
ethyl (E)-3-[4-(2,2-dihydroxyethyl)phenyl]prop-2-enoate
CID 20644926
ethyl acetate;ethyl (E)-3-phenylprop-2-enoate
CID 163289975

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(4-propanoylphenyl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(4-propanoylphenyl)prop-2-enoate (CID 18348054) is ethyl (E)-3-(4-propanoylphenyl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(4-propanoylphenyl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(4-propanoylphenyl)prop-2-enoate is CCOC(=O)/C=C/c1ccc(C(=O)CC)cc1.
What is the InChIKey of ethyl (E)-3-(4-propanoylphenyl)prop-2-enoate?
The InChIKey is UHGOOCIJRUHTIE-JXMROGBWSA-N. The full InChI is InChI=1S/C14H16O3/c1-3-13(15)12-8-5-11(6-9-12)7-10-14(16)17-4-2/h5-10H,3-4H2,1-2H3/b10-7+.
What are the key properties of ethyl (E)-3-(4-propanoylphenyl)prop-2-enoate?
ethyl (E)-3-(4-propanoylphenyl)prop-2-enoate has a molecular weight of 232.28 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(4-propanoylphenyl)prop-2-enoate is sourced from PubChem (CID 18348054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).