ethyl 2-(2,6-dichloro-4-hydroxyphenoxy)butanoate

C12H14Cl2O4 — CID 67576525

IUPACethyl 2-(2,6-dichloro-4-hydroxyphenoxy)butanoate
SMILESCCOC(=O)C(CC)Oc1c(Cl)cc(O)cc1Cl
InChIInChI=1S/C12H14Cl2O4/c1-3-10(12(16)17-4-2)18-11-8(13)5-7(15)6-9(11)14/h5-6,10,15H,3-4H2,1-2H3
InChIKeyOXSXLGPJMWTRJY-UHFFFAOYSA-N
MW293.15 g/mol
LogP3.42
Rot. Bonds5

About ethyl 2-(2,6-dichloro-4-hydroxyphenoxy)butanoate

ethyl 2-(2,6-dichloro-4-hydroxyphenoxy)butanoate (PubChem CID 67576525) has the molecular formula C12H14Cl2O4 and a molecular weight of 293.15 g/mol. Its IUPAC name is ethyl 2-(2,6-dichloro-4-hydroxyphenoxy)butanoate.

Molecular Properties

Compound Nameethyl 2-(2,6-dichloro-4-hydroxyphenoxy)butanoate
PubChem CID67576525
Molecular FormulaC12H14Cl2O4
Molecular Weight293.15 g/mol
Exact Mass292.03
IUPAC Nameethyl 2-(2,6-dichloro-4-hydroxyphenoxy)butanoate
SMILESCCOC(=O)C(CC)Oc1c(Cl)cc(O)cc1Cl
InChIInChI=1S/C12H14Cl2O4/c1-3-10(12(16)17-4-2)18-11-8(13)5-7(15)6-9(11)14/h5-6,10,15H,3-4H2,1-2H3
InChIKeyOXSXLGPJMWTRJY-UHFFFAOYSA-N
XLogP3.42
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-chloro-4-formyl-6-methoxyphenoxy)butanoate
CID 64662755
ethyl (2R)-2-(2-chloro-5-methylphenoxy)butanoate
CID 40613985
ethyl (2R)-2-(2,6-dimethylphenoxy)butanoate
CID 125470264
ethyl (2R)-2-(2-amino-4-chlorophenoxy)butanoate
CID 124503178
ethyl 2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]butanoate
CID 64668112
ethyl 2-(2-chloro-4-cyanophenoxy)butanoate
CID 60667384
ethyl 2-[4-(2-aminopropyl)-2-chlorophenoxy]butanoate
CID 64662197
ethyl 2-[3-chloro-2-(hydroxymethyl)phenoxy]butanoate
CID 113276891
ethyl 2-(4-bromo-2-formyl-6-methylphenoxy)butanoate
CID 112620595
ethyl 2-(4-methylphenoxy)butanoate
CID 64662052
ethyl 2-(2,4,5-trichlorophenoxy)pentanoate
CID 83038818
3-[3-chloro-4-(1-ethoxy-1-oxobutan-2-yl)oxyphenyl]prop-2-enoic acid
CID 77055262

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,6-dichloro-4-hydroxyphenoxy)butanoate?
The IUPAC name of ethyl 2-(2,6-dichloro-4-hydroxyphenoxy)butanoate (CID 67576525) is ethyl 2-(2,6-dichloro-4-hydroxyphenoxy)butanoate.
What is the SMILES notation for ethyl 2-(2,6-dichloro-4-hydroxyphenoxy)butanoate?
The canonical SMILES for ethyl 2-(2,6-dichloro-4-hydroxyphenoxy)butanoate is CCOC(=O)C(CC)Oc1c(Cl)cc(O)cc1Cl.
What is the InChIKey of ethyl 2-(2,6-dichloro-4-hydroxyphenoxy)butanoate?
The InChIKey is OXSXLGPJMWTRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O4/c1-3-10(12(16)17-4-2)18-11-8(13)5-7(15)6-9(11)14/h5-6,10,15H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(2,6-dichloro-4-hydroxyphenoxy)butanoate?
ethyl 2-(2,6-dichloro-4-hydroxyphenoxy)butanoate has a molecular weight of 293.15 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,6-dichloro-4-hydroxyphenoxy)butanoate is sourced from PubChem (CID 67576525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).