ethyl 2-[(4-benzoylphenyl)methyl]prop-2-enoate

C19H18O3 — CID 57466037

IUPACethyl 2-[(4-benzoylphenyl)methyl]prop-2-enoate
SMILESC=C(Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)OCC
InChIInChI=1S/C19H18O3/c1-3-22-19(21)14(2)13-15-9-11-17(12-10-15)18(20)16-7-5-4-6-8-16/h4-12H,2-3,13H2,1H3
InChIKeyUMZPJEDIVUAOBZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.58
Rot. Bonds6

About ethyl 2-[(4-benzoylphenyl)methyl]prop-2-enoate

ethyl 2-[(4-benzoylphenyl)methyl]prop-2-enoate (PubChem CID 57466037) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl 2-[(4-benzoylphenyl)methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[(4-benzoylphenyl)methyl]prop-2-enoate
PubChem CID57466037
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Nameethyl 2-[(4-benzoylphenyl)methyl]prop-2-enoate
SMILESC=C(Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)OCC
InChIInChI=1S/C19H18O3/c1-3-22-19(21)14(2)13-15-9-11-17(12-10-15)18(20)16-7-5-4-6-8-16/h4-12H,2-3,13H2,1H3
InChIKeyUMZPJEDIVUAOBZ-UHFFFAOYSA-N
XLogP3.58
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-[(4-benzoylphenyl)methyl]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

1-(dimethylamino)ethyl 2-[(4-benzoylphenyl)methyl]prop-2-enoate;hydrochloride
CID 175001526
2-benzylprop-2-enoic acid;ethyl acetate;bis(ethyl 2-phenylprop-2-enoate)
CID 174947612
(4-benzoylphenyl)methyl 2-methylprop-2-enoate
CID 140797450
ethyl (Z)-3-hydroxy-2,4-diphenylbut-2-enoate
CID 134119528
methyl 2-benzylprop-2-enoate
CID 575761
ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate
CID 59266192
1-(4-benzoylphenyl)pentan-2-one
CID 70524475
ethyl 2-oxo-2-phenylacetate
CID 15349
ethyl (E)-2-benzyl-3-phenylbut-2-enoate
CID 12996325
5-O-benzoyl 1-O-ethyl 2-methylidenepentanedioate
CID 118895947
ethyl 3-hydroxy-2-methyl-3-phenylprop-2-enoate
CID 174429046
ethyl 2-phenylprop-2-enoate;2-methylprop-2-enoic acid
CID 70039514

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-benzoylphenyl)methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[(4-benzoylphenyl)methyl]prop-2-enoate (CID 57466037) is ethyl 2-[(4-benzoylphenyl)methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[(4-benzoylphenyl)methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[(4-benzoylphenyl)methyl]prop-2-enoate is C=C(Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)OCC.
What is the InChIKey of ethyl 2-[(4-benzoylphenyl)methyl]prop-2-enoate?
The InChIKey is UMZPJEDIVUAOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-3-22-19(21)14(2)13-15-9-11-17(12-10-15)18(20)16-7-5-4-6-8-16/h4-12H,2-3,13H2,1H3.
What are the key properties of ethyl 2-[(4-benzoylphenyl)methyl]prop-2-enoate?
ethyl 2-[(4-benzoylphenyl)methyl]prop-2-enoate has a molecular weight of 294.35 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-benzoylphenyl)methyl]prop-2-enoate is sourced from PubChem (CID 57466037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).