ethyl 2-(2,4-dichloro-3-methylphenoxy)propanoate

C12H14Cl2O3 — CID 14721691

IUPACethyl 2-(2,4-dichloro-3-methylphenoxy)propanoate
SMILESCCOC(=O)C(C)Oc1ccc(Cl)c(C)c1Cl
InChIInChI=1S/C12H14Cl2O3/c1-4-16-12(15)8(3)17-10-6-5-9(13)7(2)11(10)14/h5-6,8H,4H2,1-3H3
InChIKeyUYBIZBCAQSMBSB-UHFFFAOYSA-N
MW277.15 g/mol
LogP3.63
Rot. Bonds4

About ethyl 2-(2,4-dichloro-3-methylphenoxy)propanoate

ethyl 2-(2,4-dichloro-3-methylphenoxy)propanoate (PubChem CID 14721691) has the molecular formula C12H14Cl2O3 and a molecular weight of 277.15 g/mol. Its IUPAC name is ethyl 2-(2,4-dichloro-3-methylphenoxy)propanoate.

Molecular Properties

Compound Nameethyl 2-(2,4-dichloro-3-methylphenoxy)propanoate
PubChem CID14721691
Molecular FormulaC12H14Cl2O3
Molecular Weight277.15 g/mol
Exact Mass276.03
IUPAC Nameethyl 2-(2,4-dichloro-3-methylphenoxy)propanoate
SMILESCCOC(=O)C(C)Oc1ccc(Cl)c(C)c1Cl
InChIInChI=1S/C12H14Cl2O3/c1-4-16-12(15)8(3)17-10-6-5-9(13)7(2)11(10)14/h5-6,8H,4H2,1-3H3
InChIKeyUYBIZBCAQSMBSB-UHFFFAOYSA-N
XLogP3.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanopropyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide
CID 139601284
2-[3-chloro-4-(1-ethoxy-1-oxopropan-2-yl)oxyphenyl]acetic acid
CID 110190887
ethyl 2-(2,6-dichlorophenoxy)propanoate
CID 13177850
N-(2-chlorophenyl)-2-(2,4-dichloro-3-methylphenoxy)propanamide
CID 15917903
ethyl (2R)-2-[2-chloro-4-[(2,2-dichloroacetyl)amino]phenoxy]propanoate
CID 6976953
2-(2,4-dichloro-3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 15917901
ethyl 2-[4-(2,6-dichloro-3-methylphenoxy)phenoxy]propanoate
CID 11245621
ethyl (2R)-2-(3,6-dichloro-4-methyl-2-oxochromen-7-yl)oxypropanoate
CID 681430
ethyl 2-[2-(2-aminobutyl)-3-chlorophenoxy]propanoate
CID 114322013
ethyl 2-[4-[(1S)-1-hydroxyethyl]-2-methylphenoxy]propanoate
CID 113387042
ethyl 2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]propanoate
CID 78936226
ethyl 2-[3-chloro-2-(propylaminomethyl)phenoxy]propanoate
CID 114319515

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-dichloro-3-methylphenoxy)propanoate?
The IUPAC name of ethyl 2-(2,4-dichloro-3-methylphenoxy)propanoate (CID 14721691) is ethyl 2-(2,4-dichloro-3-methylphenoxy)propanoate.
What is the SMILES notation for ethyl 2-(2,4-dichloro-3-methylphenoxy)propanoate?
The canonical SMILES for ethyl 2-(2,4-dichloro-3-methylphenoxy)propanoate is CCOC(=O)C(C)Oc1ccc(Cl)c(C)c1Cl.
What is the InChIKey of ethyl 2-(2,4-dichloro-3-methylphenoxy)propanoate?
The InChIKey is UYBIZBCAQSMBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O3/c1-4-16-12(15)8(3)17-10-6-5-9(13)7(2)11(10)14/h5-6,8H,4H2,1-3H3.
What are the key properties of ethyl 2-(2,4-dichloro-3-methylphenoxy)propanoate?
ethyl 2-(2,4-dichloro-3-methylphenoxy)propanoate has a molecular weight of 277.15 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-dichloro-3-methylphenoxy)propanoate is sourced from PubChem (CID 14721691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).