ethyl 2-(2,6-dichlorophenoxy)propanoate

C11H12Cl2O3 — CID 13177850

IUPACethyl 2-(2,6-dichlorophenoxy)propanoate
SMILESCCOC(=O)C(C)Oc1c(Cl)cccc1Cl
InChIInChI=1S/C11H12Cl2O3/c1-3-15-11(14)7(2)16-10-8(12)5-4-6-9(10)13/h4-7H,3H2,1-2H3
InChIKeyUKCDLIBIFNZMCQ-UHFFFAOYSA-N
MW263.12 g/mol
LogP3.32
Rot. Bonds4

About ethyl 2-(2,6-dichlorophenoxy)propanoate

ethyl 2-(2,6-dichlorophenoxy)propanoate (PubChem CID 13177850) has the molecular formula C11H12Cl2O3 and a molecular weight of 263.12 g/mol. Its IUPAC name is ethyl 2-(2,6-dichlorophenoxy)propanoate.

Molecular Properties

Compound Nameethyl 2-(2,6-dichlorophenoxy)propanoate
PubChem CID13177850
Molecular FormulaC11H12Cl2O3
Molecular Weight263.12 g/mol
Exact Mass262.02
IUPAC Nameethyl 2-(2,6-dichlorophenoxy)propanoate
SMILESCCOC(=O)C(C)Oc1c(Cl)cccc1Cl
InChIInChI=1S/C11H12Cl2O3/c1-3-15-11(14)7(2)16-10-8(12)5-4-6-9(10)13/h4-7H,3H2,1-2H3
InChIKeyUKCDLIBIFNZMCQ-UHFFFAOYSA-N
XLogP3.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 115954967
ethyl (2S)-2-(2,6-dipropylphenoxy)propanoate
CID 125497853
ethyl 2-(3-chloro-2-methoxyphenyl)propanoate
CID 70047747
ethyl 2-[2-(2-aminobutyl)-3-chlorophenoxy]propanoate
CID 114322013
ethyl 2-[3-chloro-2-(propylaminomethyl)phenoxy]propanoate
CID 114319515
2-(1-amino-1-oxopropan-2-yl)oxy-3-chlorobenzoic acid
CID 112612004
ethyl 2-(2,4-dichloro-3-methylphenoxy)propanoate
CID 14721691
ethyl (2R)-2-(2-methylnaphthalen-1-yl)oxypropanoate
CID 125497694
ethyl 2-[4-(2,6-dichloro-3-methylphenoxy)phenoxy]propanoate
CID 11245621
2-[2-(2-aminobutyl)-6-chlorophenoxy]propanamide
CID 112615776
2-[2-(2-aminoethyl)-6-chlorophenoxy]propanamide
CID 112615054
ethyl 2-[2-fluoro-6-(hydroxymethyl)phenoxy]propanoate
CID 112613216

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,6-dichlorophenoxy)propanoate?
The IUPAC name of ethyl 2-(2,6-dichlorophenoxy)propanoate (CID 13177850) is ethyl 2-(2,6-dichlorophenoxy)propanoate.
What is the SMILES notation for ethyl 2-(2,6-dichlorophenoxy)propanoate?
The canonical SMILES for ethyl 2-(2,6-dichlorophenoxy)propanoate is CCOC(=O)C(C)Oc1c(Cl)cccc1Cl.
What is the InChIKey of ethyl 2-(2,6-dichlorophenoxy)propanoate?
The InChIKey is UKCDLIBIFNZMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O3/c1-3-15-11(14)7(2)16-10-8(12)5-4-6-9(10)13/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 2-(2,6-dichlorophenoxy)propanoate?
ethyl 2-(2,6-dichlorophenoxy)propanoate has a molecular weight of 263.12 g/mol, XLogP of 3.32, 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-dichlorophenoxy)propanoate is sourced from PubChem (CID 13177850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).