methyl 3-(2,4-dichlorophenoxy)-2-phenoxypropanoate

C16H14Cl2O4 — CID 70632599

IUPACmethyl 3-(2,4-dichlorophenoxy)-2-phenoxypropanoate
SMILESCOC(=O)C(COc1ccc(Cl)cc1Cl)Oc1ccccc1
InChIInChI=1S/C16H14Cl2O4/c1-20-16(19)15(22-12-5-3-2-4-6-12)10-21-14-8-7-11(17)9-13(14)18/h2-9,15H,10H2,1H3
InChIKeyOMAWLEXCZUSHOW-UHFFFAOYSA-N
MW341.19 g/mol
LogP3.99
Rot. Bonds6

About methyl 3-(2,4-dichlorophenoxy)-2-phenoxypropanoate

methyl 3-(2,4-dichlorophenoxy)-2-phenoxypropanoate (PubChem CID 70632599) has the molecular formula C16H14Cl2O4 and a molecular weight of 341.19 g/mol. Its IUPAC name is methyl 3-(2,4-dichlorophenoxy)-2-phenoxypropanoate.

Molecular Properties

Compound Namemethyl 3-(2,4-dichlorophenoxy)-2-phenoxypropanoate
PubChem CID70632599
Molecular FormulaC16H14Cl2O4
Molecular Weight341.19 g/mol
Exact Mass340.03
IUPAC Namemethyl 3-(2,4-dichlorophenoxy)-2-phenoxypropanoate
SMILESCOC(=O)C(COc1ccc(Cl)cc1Cl)Oc1ccccc1
InChIInChI=1S/C16H14Cl2O4/c1-20-16(19)15(22-12-5-3-2-4-6-12)10-21-14-8-7-11(17)9-13(14)18/h2-9,15H,10H2,1H3
InChIKeyOMAWLEXCZUSHOW-UHFFFAOYSA-N
XLogP3.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-chlorophenoxy)-3-(2,3-dichlorophenoxy)propanoate
CID 70532958
3-(4-chloro-2-cyclohexylphenoxy)-2-phenoxypropanoic acid
CID 57264075
methyl 2-(4-chlorophenoxy)pentanoate
CID 15744144
3-(2,4-dichlorophenyl)-2-phenoxypropanoic acid
CID 133245608
(2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]butanoic acid
CID 67627355
methyl 2-amino-3-(2,5-dichlorophenoxy)propanoate
CID 116820903
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
N-(2,5-dichlorophenyl)-2-phenoxybutanamide
CID 2886435
N'-[2-(2,4-dichlorophenoxy)acetyl]-3-phenoxypropanehydrazide
CID 19168021
methyl 2-amino-3-(2-chlorophenoxy)propanoate
CID 86263203
1-[(2S)-2-benzyl-3-methylbutoxy]-2,4-dichlorobenzene;(2S,3R)-3-benzyl-4-phenoxybutan-2-ol
CID 158398090
(2S)-3-(5-chloro-2-phenoxyphenyl)-2-(4-methoxyphenoxy)propanoic acid
CID 100550282

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,4-dichlorophenoxy)-2-phenoxypropanoate?
The IUPAC name of methyl 3-(2,4-dichlorophenoxy)-2-phenoxypropanoate (CID 70632599) is methyl 3-(2,4-dichlorophenoxy)-2-phenoxypropanoate.
What is the SMILES notation for methyl 3-(2,4-dichlorophenoxy)-2-phenoxypropanoate?
The canonical SMILES for methyl 3-(2,4-dichlorophenoxy)-2-phenoxypropanoate is COC(=O)C(COc1ccc(Cl)cc1Cl)Oc1ccccc1.
What is the InChIKey of methyl 3-(2,4-dichlorophenoxy)-2-phenoxypropanoate?
The InChIKey is OMAWLEXCZUSHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O4/c1-20-16(19)15(22-12-5-3-2-4-6-12)10-21-14-8-7-11(17)9-13(14)18/h2-9,15H,10H2,1H3.
What are the key properties of methyl 3-(2,4-dichlorophenoxy)-2-phenoxypropanoate?
methyl 3-(2,4-dichlorophenoxy)-2-phenoxypropanoate has a molecular weight of 341.19 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,4-dichlorophenoxy)-2-phenoxypropanoate is sourced from PubChem (CID 70632599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).