methyl 3-(3-chloro-4-fluorophenoxy)-2-methylpropanoate

C11H12ClFO3 — CID 43402742

IUPACmethyl 3-(3-chloro-4-fluorophenoxy)-2-methylpropanoate
SMILESCOC(=O)C(C)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H12ClFO3/c1-7(11(14)15-2)6-16-8-3-4-10(13)9(12)5-8/h3-5,7H,6H2,1-2H3
InChIKeySAXFKJAARYIJIM-UHFFFAOYSA-N
MW246.66 g/mol
LogP2.67
Rot. Bonds4

About methyl 3-(3-chloro-4-fluorophenoxy)-2-methylpropanoate

methyl 3-(3-chloro-4-fluorophenoxy)-2-methylpropanoate (PubChem CID 43402742) has the molecular formula C11H12ClFO3 and a molecular weight of 246.66 g/mol. Its IUPAC name is methyl 3-(3-chloro-4-fluorophenoxy)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(3-chloro-4-fluorophenoxy)-2-methylpropanoate
PubChem CID43402742
Molecular FormulaC11H12ClFO3
Molecular Weight246.66 g/mol
Exact Mass246.05
IUPAC Namemethyl 3-(3-chloro-4-fluorophenoxy)-2-methylpropanoate
SMILESCOC(=O)C(C)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H12ClFO3/c1-7(11(14)15-2)6-16-8-3-4-10(13)9(12)5-8/h3-5,7H,6H2,1-2H3
InChIKeySAXFKJAARYIJIM-UHFFFAOYSA-N
XLogP2.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(4-chlorophenoxy)-2-methylpropanoate
CID 43537622
2-acetamido-3-(3-chloro-4-fluorophenoxy)propanoic acid
CID 65443573
methyl 2-(3-chloro-4-fluorophenoxy)acetate
CID 43235932
methyl (2R)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 9229576
methyl 3-(4-iodophenoxy)-2-methylpropanoate
CID 43538009
3-(3-chloro-4-fluorophenoxy)-2,2-dimethylpropanehydrazide
CID 79627308
(2R)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-4-methylpentanoic acid
CID 119364207
1-(tert-butylamino)-3-(3-chloro-4-fluorophenoxy)propan-2-ol
CID 115476132
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]propanediamide
CID 47155227
N-(1-amino-4-methylpentan-2-yl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 119586940
methyl 3-(3-carbamoylphenoxy)-2-methylpropanoate
CID 43537890
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid
CID 120702011

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-chloro-4-fluorophenoxy)-2-methylpropanoate?
The IUPAC name of methyl 3-(3-chloro-4-fluorophenoxy)-2-methylpropanoate (CID 43402742) is methyl 3-(3-chloro-4-fluorophenoxy)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(3-chloro-4-fluorophenoxy)-2-methylpropanoate?
The canonical SMILES for methyl 3-(3-chloro-4-fluorophenoxy)-2-methylpropanoate is COC(=O)C(C)COc1ccc(F)c(Cl)c1.
What is the InChIKey of methyl 3-(3-chloro-4-fluorophenoxy)-2-methylpropanoate?
The InChIKey is SAXFKJAARYIJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO3/c1-7(11(14)15-2)6-16-8-3-4-10(13)9(12)5-8/h3-5,7H,6H2,1-2H3.
What are the key properties of methyl 3-(3-chloro-4-fluorophenoxy)-2-methylpropanoate?
methyl 3-(3-chloro-4-fluorophenoxy)-2-methylpropanoate has a molecular weight of 246.66 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-chloro-4-fluorophenoxy)-2-methylpropanoate is sourced from PubChem (CID 43402742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).