ethyl 3-(4-benzoylphenyl)prop-2-enoate

C18H16O3 — CID 73018400

IUPACethyl 3-(4-benzoylphenyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H16O3/c1-2-21-17(19)13-10-14-8-11-16(12-9-14)18(20)15-6-4-3-5-7-15/h3-13H,2H2,1H3
InChIKeyUSXCMJVZUIGKHB-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.49
Rot. Bonds5

About ethyl 3-(4-benzoylphenyl)prop-2-enoate

ethyl 3-(4-benzoylphenyl)prop-2-enoate (PubChem CID 73018400) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is ethyl 3-(4-benzoylphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(4-benzoylphenyl)prop-2-enoate
PubChem CID73018400
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Nameethyl 3-(4-benzoylphenyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H16O3/c1-2-21-17(19)13-10-14-8-11-16(12-9-14)18(20)15-6-4-3-5-7-15/h3-13H,2H2,1H3
InChIKeyUSXCMJVZUIGKHB-UHFFFAOYSA-N
XLogP3.49
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 3-(4-benzoylphenyl)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 (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 acetate;ethyl (E)-3-phenylprop-2-enoate
CID 163289975
ethyl (E)-3-(4-propanoylphenyl)prop-2-enoate
CID 18348054
ethyl (E)-3-(4-phenylsulfanylphenyl)prop-2-enoate
CID 86645813
ethyl (E)-3-(4-benzoyl-1-phenylpyrrol-2-yl)prop-2-enoate
CID 10871677
3-[(E)-3-ethoxy-3-oxoprop-1-enyl]benzoic acid
CID 10489084
ethyl 4-[4-(3-ethoxy-3-oxoprop-1-enyl)phenyl]-4-oxobutanoate
CID 169481133
(1E,4E)-1,5-bis(4-benzoylphenyl)penta-1,4-dien-3-one
CID 101166440
(4-benzoylphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 43910920
ethyl (4E)-5-phenylpenta-2,4-dienoate
CID 173106795
ethyl 3-(3,4-diaminophenyl)prop-2-enoate
CID 169480115

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-benzoylphenyl)prop-2-enoate?
The IUPAC name of ethyl 3-(4-benzoylphenyl)prop-2-enoate (CID 73018400) is ethyl 3-(4-benzoylphenyl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(4-benzoylphenyl)prop-2-enoate?
The canonical SMILES for ethyl 3-(4-benzoylphenyl)prop-2-enoate is CCOC(=O)C=Cc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of ethyl 3-(4-benzoylphenyl)prop-2-enoate?
The InChIKey is USXCMJVZUIGKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-2-21-17(19)13-10-14-8-11-16(12-9-14)18(20)15-6-4-3-5-7-15/h3-13H,2H2,1H3.
What are the key properties of ethyl 3-(4-benzoylphenyl)prop-2-enoate?
ethyl 3-(4-benzoylphenyl)prop-2-enoate has a molecular weight of 280.32 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-benzoylphenyl)prop-2-enoate is sourced from PubChem (CID 73018400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).