ethyl (Z)-2-(2,4-dichlorobenzoyl)-3-ethoxyprop-2-enoate

C14H14Cl2O4 — CID 11723335

IUPACethyl (Z)-2-(2,4-dichlorobenzoyl)-3-ethoxyprop-2-enoate
SMILESCCO/C=C(\C(=O)OCC)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2O4/c1-3-19-8-11(14(18)20-4-2)13(17)10-6-5-9(15)7-12(10)16/h5-8H,3-4H2,1-2H3/b11-8-
InChIKeyMXXWVEGQVIPQCV-FLIBITNWSA-N
MW317.17 g/mol
LogP3.66
Rot. Bonds6

About ethyl (Z)-2-(2,4-dichlorobenzoyl)-3-ethoxyprop-2-enoate

ethyl (Z)-2-(2,4-dichlorobenzoyl)-3-ethoxyprop-2-enoate (PubChem CID 11723335) has the molecular formula C14H14Cl2O4 and a molecular weight of 317.17 g/mol. Its IUPAC name is ethyl (Z)-2-(2,4-dichlorobenzoyl)-3-ethoxyprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-(2,4-dichlorobenzoyl)-3-ethoxyprop-2-enoate
PubChem CID11723335
Molecular FormulaC14H14Cl2O4
Molecular Weight317.17 g/mol
Exact Mass316.03
IUPAC Nameethyl (Z)-2-(2,4-dichlorobenzoyl)-3-ethoxyprop-2-enoate
SMILESCCO/C=C(\C(=O)OCC)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2O4/c1-3-19-8-11(14(18)20-4-2)13(17)10-6-5-9(15)7-12(10)16/h5-8H,3-4H2,1-2H3/b11-8-
InChIKeyMXXWVEGQVIPQCV-FLIBITNWSA-N
XLogP3.66
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze ethyl (Z)-2-(2,4-dichlorobenzoyl)-3-ethoxyprop-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)-2-(2,4-dichlorobenzoyl)-3-ethoxyprop-2-enoate
CID 124506565
(E)-1-(2,4-dichlorophenyl)-3-ethoxyprop-2-en-1-one
CID 60869996
ethyl 2-(5-chloro-2,4-dinitrobenzoyl)-3-ethoxyprop-2-enoate
CID 88680250
ethyl (Z)-3-ethoxy-2-(2,4,5-trifluoro-3-methylbenzoyl)prop-2-enoate
CID 14052573
ethyl 2-(2,4-dichloro-3-cyano-5-fluorobenzoyl)-3-ethoxyprop-2-enoate
CID 54377300
ethyl (E)-2-benzoyl-3-ethoxyprop-2-enoate
CID 3034576
ethyl (Z)-3-ethoxy-2-(4,5,6-trichloropyridine-3-carbonyl)prop-2-enoate
CID 18973152
(2Z)-1-(2-chloro-4-methylsulfonylphenyl)-2-(ethoxymethylidene)-4-methylpentane-1,3-dione
CID 67601239
ethyl 3-ethoxy-2-(2-methylsulfanylbenzoyl)prop-2-enoate
CID 70458532
ethyl (Z)-3-ethoxy-2-(3-methoxybenzoyl)prop-2-enoate
CID 140765268
ethyl 2-(5-chloro-2-iodophenyl)-2-oxoacetate
CID 139220418
ethyl N-[(E)-3-(2,4-dichlorophenyl)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]-N-(ethoxycarbonylamino)carbamate
CID 137368673

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-(2,4-dichlorobenzoyl)-3-ethoxyprop-2-enoate?
The IUPAC name of ethyl (Z)-2-(2,4-dichlorobenzoyl)-3-ethoxyprop-2-enoate (CID 11723335) is ethyl (Z)-2-(2,4-dichlorobenzoyl)-3-ethoxyprop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-(2,4-dichlorobenzoyl)-3-ethoxyprop-2-enoate?
The canonical SMILES for ethyl (Z)-2-(2,4-dichlorobenzoyl)-3-ethoxyprop-2-enoate is CCO/C=C(\C(=O)OCC)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl (Z)-2-(2,4-dichlorobenzoyl)-3-ethoxyprop-2-enoate?
The InChIKey is MXXWVEGQVIPQCV-FLIBITNWSA-N. The full InChI is InChI=1S/C14H14Cl2O4/c1-3-19-8-11(14(18)20-4-2)13(17)10-6-5-9(15)7-12(10)16/h5-8H,3-4H2,1-2H3/b11-8-.
What are the key properties of ethyl (Z)-2-(2,4-dichlorobenzoyl)-3-ethoxyprop-2-enoate?
ethyl (Z)-2-(2,4-dichlorobenzoyl)-3-ethoxyprop-2-enoate has a molecular weight of 317.17 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-(2,4-dichlorobenzoyl)-3-ethoxyprop-2-enoate is sourced from PubChem (CID 11723335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).