methyl 2-(2-chlorophenoxy)-3-(2,3-dichlorophenoxy)propanoate

C16H13Cl3O4 — CID 70532958

IUPACmethyl 2-(2-chlorophenoxy)-3-(2,3-dichlorophenoxy)propanoate
SMILESCOC(=O)C(COc1cccc(Cl)c1Cl)Oc1ccccc1Cl
InChIInChI=1S/C16H13Cl3O4/c1-21-16(20)14(23-12-7-3-2-5-10(12)17)9-22-13-8-4-6-11(18)15(13)19/h2-8,14H,9H2,1H3
InChIKeyYXAYEAJZLQIWOR-UHFFFAOYSA-N
MW375.64 g/mol
LogP4.65
Rot. Bonds6

About methyl 2-(2-chlorophenoxy)-3-(2,3-dichlorophenoxy)propanoate

methyl 2-(2-chlorophenoxy)-3-(2,3-dichlorophenoxy)propanoate (PubChem CID 70532958) has the molecular formula C16H13Cl3O4 and a molecular weight of 375.64 g/mol. Its IUPAC name is methyl 2-(2-chlorophenoxy)-3-(2,3-dichlorophenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-chlorophenoxy)-3-(2,3-dichlorophenoxy)propanoate
PubChem CID70532958
Molecular FormulaC16H13Cl3O4
Molecular Weight375.64 g/mol
Exact Mass373.99
IUPAC Namemethyl 2-(2-chlorophenoxy)-3-(2,3-dichlorophenoxy)propanoate
SMILESCOC(=O)C(COc1cccc(Cl)c1Cl)Oc1ccccc1Cl
InChIInChI=1S/C16H13Cl3O4/c1-21-16(20)14(23-12-7-3-2-5-10(12)17)9-22-13-8-4-6-11(18)15(13)19/h2-8,14H,9H2,1H3
InChIKeyYXAYEAJZLQIWOR-UHFFFAOYSA-N
XLogP4.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.64
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-3-(2-chlorophenoxy)propanoate
CID 86263203
methyl 3-(2,4-dichlorophenoxy)-2-phenoxypropanoate
CID 70632599
methyl (2R,3S)-2-amino-3-(2-chlorophenoxy)butanoate
CID 99737716
methyl 2-(2-chlorophenoxy)-2-phenylacetate
CID 102391876
methyl 2-amino-3-(2-chlorophenoxy)butanoate
CID 86263211
2-acetamido-3-(2-chlorophenoxy)propanoic acid
CID 65443959
methyl 3-(2-chlorophenoxy)-2-(3-methylphenyl)propanoate
CID 117243342
2-(2-chlorophenoxy)butanoyl chloride
CID 13239462
1-(3-bromo-2-methylpropoxy)-2,3-dichlorobenzene
CID 64995949
(2S)-3-amino-2-(2-chlorophenoxy)propanoic acid
CID 16730463
(2S)-3-(2-chlorophenoxy)-2-(methylamino)propanoic acid
CID 142490833
1-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-ethylurea
CID 94199882

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chlorophenoxy)-3-(2,3-dichlorophenoxy)propanoate?
The IUPAC name of methyl 2-(2-chlorophenoxy)-3-(2,3-dichlorophenoxy)propanoate (CID 70532958) is methyl 2-(2-chlorophenoxy)-3-(2,3-dichlorophenoxy)propanoate.
What is the SMILES notation for methyl 2-(2-chlorophenoxy)-3-(2,3-dichlorophenoxy)propanoate?
The canonical SMILES for methyl 2-(2-chlorophenoxy)-3-(2,3-dichlorophenoxy)propanoate is COC(=O)C(COc1cccc(Cl)c1Cl)Oc1ccccc1Cl.
What is the InChIKey of methyl 2-(2-chlorophenoxy)-3-(2,3-dichlorophenoxy)propanoate?
The InChIKey is YXAYEAJZLQIWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl3O4/c1-21-16(20)14(23-12-7-3-2-5-10(12)17)9-22-13-8-4-6-11(18)15(13)19/h2-8,14H,9H2,1H3.
What are the key properties of methyl 2-(2-chlorophenoxy)-3-(2,3-dichlorophenoxy)propanoate?
methyl 2-(2-chlorophenoxy)-3-(2,3-dichlorophenoxy)propanoate has a molecular weight of 375.64 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chlorophenoxy)-3-(2,3-dichlorophenoxy)propanoate is sourced from PubChem (CID 70532958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).