ethyl 2-(2,6-dichloro-4-formylphenyl)acetate

C11H10Cl2O3 — CID 171006294

IUPACethyl 2-(2,6-dichloro-4-formylphenyl)acetate
SMILESCCOC(=O)Cc1c(Cl)cc(C=O)cc1Cl
InChIInChI=1S/C11H10Cl2O3/c1-2-16-11(15)5-8-9(12)3-7(6-14)4-10(8)13/h3-4,6H,2,5H2,1H3
InChIKeyOFRLNNNZWICKQY-UHFFFAOYSA-N
MW261.10 g/mol
LogP2.91
Rot. Bonds4

About ethyl 2-(2,6-dichloro-4-formylphenyl)acetate

ethyl 2-(2,6-dichloro-4-formylphenyl)acetate (PubChem CID 171006294) has the molecular formula C11H10Cl2O3 and a molecular weight of 261.10 g/mol. Its IUPAC name is ethyl 2-(2,6-dichloro-4-formylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,6-dichloro-4-formylphenyl)acetate
PubChem CID171006294
Molecular FormulaC11H10Cl2O3
Molecular Weight261.10 g/mol
Exact Mass260.00
IUPAC Nameethyl 2-(2,6-dichloro-4-formylphenyl)acetate
SMILESCCOC(=O)Cc1c(Cl)cc(C=O)cc1Cl
InChIInChI=1S/C11H10Cl2O3/c1-2-16-11(15)5-8-9(12)3-7(6-14)4-10(8)13/h3-4,6H,2,5H2,1H3
InChIKeyOFRLNNNZWICKQY-UHFFFAOYSA-N
XLogP2.91
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.10
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2,3-dichloro-5-formylphenyl)acetate
CID 171006430
methyl 2-(2-chloro-4-formyl-6-methylphenyl)acetate
CID 171021659
ethyl 2-(4-amino-2-chloro-6-methylphenyl)acetate
CID 171021330
ethyl 2-(2-bromo-6-fluoro-4-formylphenyl)acetate
CID 171010370
ethyl 2-(2,6-dibromo-4-chlorophenyl)acetate
CID 171033814
ethyl 2-(2,5-dichloro-4-formylphenyl)acetate
CID 171006251
ethyl 2-(4-chloro-2-cyano-6-formylphenyl)acetate
CID 134652623
ethyl 2-(5-chloro-4-fluoro-2-formylphenyl)acetate
CID 171005424
ethyl 2-(3-chloro-5-fluoro-4-formylphenyl)acetate
CID 171005609
ethyl 2-(2-bromo-6-chloro-3-formylphenyl)acetate
CID 171006746
ethyl 2-[2,4-dichloro-6-(difluoromethoxy)phenyl]acetate
CID 121228272
ethyl 2-[2-bromo-6-(difluoromethoxy)-4-formylphenyl]acetate
CID 171009744

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,6-dichloro-4-formylphenyl)acetate?
The IUPAC name of ethyl 2-(2,6-dichloro-4-formylphenyl)acetate (CID 171006294) is ethyl 2-(2,6-dichloro-4-formylphenyl)acetate.
What is the SMILES notation for ethyl 2-(2,6-dichloro-4-formylphenyl)acetate?
The canonical SMILES for ethyl 2-(2,6-dichloro-4-formylphenyl)acetate is CCOC(=O)Cc1c(Cl)cc(C=O)cc1Cl.
What is the InChIKey of ethyl 2-(2,6-dichloro-4-formylphenyl)acetate?
The InChIKey is OFRLNNNZWICKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2O3/c1-2-16-11(15)5-8-9(12)3-7(6-14)4-10(8)13/h3-4,6H,2,5H2,1H3.
What are the key properties of ethyl 2-(2,6-dichloro-4-formylphenyl)acetate?
ethyl 2-(2,6-dichloro-4-formylphenyl)acetate has a molecular weight of 261.10 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,6-dichloro-4-formylphenyl)acetate is sourced from PubChem (CID 171006294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).