ethyl 3-(2,6-dichlorophenyl)-3-hydroxyprop-2-enoate

C11H10Cl2O3 — CID 169410059

IUPACethyl 3-(2,6-dichlorophenyl)-3-hydroxyprop-2-enoate
SMILESCCOC(=O)C=C(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H10Cl2O3/c1-2-16-10(15)6-9(14)11-7(12)4-3-5-8(11)13/h3-6,14H,2H2,1H3
InChIKeyMNJXHRZMHYOOFA-UHFFFAOYSA-N
MW261.10 g/mol
LogP3.46
Rot. Bonds3

About ethyl 3-(2,6-dichlorophenyl)-3-hydroxyprop-2-enoate

ethyl 3-(2,6-dichlorophenyl)-3-hydroxyprop-2-enoate (PubChem CID 169410059) has the molecular formula C11H10Cl2O3 and a molecular weight of 261.10 g/mol. Its IUPAC name is ethyl 3-(2,6-dichlorophenyl)-3-hydroxyprop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(2,6-dichlorophenyl)-3-hydroxyprop-2-enoate
PubChem CID169410059
Molecular FormulaC11H10Cl2O3
Molecular Weight261.10 g/mol
Exact Mass260.00
IUPAC Nameethyl 3-(2,6-dichlorophenyl)-3-hydroxyprop-2-enoate
SMILESCCOC(=O)C=C(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H10Cl2O3/c1-2-16-10(15)6-9(14)11-7(12)4-3-5-8(11)13/h3-6,14H,2H2,1H3
InChIKeyMNJXHRZMHYOOFA-UHFFFAOYSA-N
XLogP3.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.10
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 3-(2,6-dichlorophenyl)-3-hydroxyprop-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 3-(5-chlorothiophen-2-yl)-3-hydroxyprop-2-enoate
CID 170922496
diethyl 2-(2-bromo-3-chlorophenoxy)but-2-enedioate
CID 91547923
4-[2-chloro-6-(3-ethoxy-1-hydroxy-3-oxoprop-1-enyl)phenyl]oxane-4-carboxylic acid
CID 67100324
ethyl 3-hydroxy-3-(4-methylphenyl)prop-2-enoate
CID 71356233
ethyl (Z)-3-(2-chlorophenoxy)but-2-enoate
CID 66894720
ethyl (Z)-3-(2-chloro-5-nitrophenyl)-3-hydroxyprop-2-enoate
CID 134125641
ethyl 3-hydroxy-3-(4-iodophenyl)prop-2-enoate
CID 170922843
ethyl (Z)-3-hydroxy-3-pyridin-4-ylprop-2-enoate
CID 54710377
ethyl 4-amino-3-(2-chlorophenoxy)but-2-enoate
CID 141377134
ethyl (E)-3-(2-chloro-6-methylphenyl)prop-2-enoate
CID 91755247
[(E)-2,4-diethoxy-4-oxobut-2-enyl]-triphenylarsanium
CID 10745094
ethyl 3-hydroxy-3-(3-propan-2-yloxyphenyl)prop-2-enoate
CID 170923420

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,6-dichlorophenyl)-3-hydroxyprop-2-enoate?
The IUPAC name of ethyl 3-(2,6-dichlorophenyl)-3-hydroxyprop-2-enoate (CID 169410059) is ethyl 3-(2,6-dichlorophenyl)-3-hydroxyprop-2-enoate.
What is the SMILES notation for ethyl 3-(2,6-dichlorophenyl)-3-hydroxyprop-2-enoate?
The canonical SMILES for ethyl 3-(2,6-dichlorophenyl)-3-hydroxyprop-2-enoate is CCOC(=O)C=C(O)c1c(Cl)cccc1Cl.
What is the InChIKey of ethyl 3-(2,6-dichlorophenyl)-3-hydroxyprop-2-enoate?
The InChIKey is MNJXHRZMHYOOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2O3/c1-2-16-10(15)6-9(14)11-7(12)4-3-5-8(11)13/h3-6,14H,2H2,1H3.
What are the key properties of ethyl 3-(2,6-dichlorophenyl)-3-hydroxyprop-2-enoate?
ethyl 3-(2,6-dichlorophenyl)-3-hydroxyprop-2-enoate has a molecular weight of 261.10 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,6-dichlorophenyl)-3-hydroxyprop-2-enoate is sourced from PubChem (CID 169410059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).