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

C9H8ClFO3 — CID 43235932

IUPACmethyl 2-(3-chloro-4-fluorophenoxy)acetate
SMILESCOC(=O)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C9H8ClFO3/c1-13-9(12)5-14-6-2-3-8(11)7(10)4-6/h2-4H,5H2,1H3
InChIKeyXNNPGICEFIZNAK-UHFFFAOYSA-N
MW218.61 g/mol
LogP2.03
Rot. Bonds3

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

methyl 2-(3-chloro-4-fluorophenoxy)acetate (PubChem CID 43235932) has the molecular formula C9H8ClFO3 and a molecular weight of 218.61 g/mol. Its IUPAC name is methyl 2-(3-chloro-4-fluorophenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(3-chloro-4-fluorophenoxy)acetate
PubChem CID43235932
Molecular FormulaC9H8ClFO3
Molecular Weight218.61 g/mol
Exact Mass218.01
IUPAC Namemethyl 2-(3-chloro-4-fluorophenoxy)acetate
SMILESCOC(=O)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C9H8ClFO3/c1-13-9(12)5-14-6-2-3-8(11)7(10)4-6/h2-4H,5H2,1H3
InChIKeyXNNPGICEFIZNAK-UHFFFAOYSA-N
XLogP2.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.61
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-(3-chloro-4-fluorophenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(4-bromo-3-chlorophenoxy)acetate
CID 171692268
methyl 2-(3-chloro-4-sulfanylphenoxy)acetate
CID 57256589
methyl 2-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]phenoxy]acetate
CID 1210695
methyl 2-[4-chloro-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 5312098
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]propanediamide
CID 47155227
methyl 2-[2-(3-chloro-4-fluorophenoxy)acetyl]oxy-5-methylbenzoate
CID 86890069
methyl 2-(3-amino-4-chlorophenoxy)acetate
CID 66717604
methyl 3-(3-chloro-4-fluorophenoxy)-2-methylpropanoate
CID 43402742
2-(3-chloro-4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119431591
methyl 2-(4-fluorophenoxy)acetate
CID 580550
2-chloro-4-(2-chloroprop-2-enoxy)-1-fluorobenzene
CID 130701896
N-(3-acetamido-2-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 38228993

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-chloro-4-fluorophenoxy)acetate?
The IUPAC name of methyl 2-(3-chloro-4-fluorophenoxy)acetate (CID 43235932) is methyl 2-(3-chloro-4-fluorophenoxy)acetate.
What is the SMILES notation for methyl 2-(3-chloro-4-fluorophenoxy)acetate?
The canonical SMILES for methyl 2-(3-chloro-4-fluorophenoxy)acetate is COC(=O)COc1ccc(F)c(Cl)c1.
What is the InChIKey of methyl 2-(3-chloro-4-fluorophenoxy)acetate?
The InChIKey is XNNPGICEFIZNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO3/c1-13-9(12)5-14-6-2-3-8(11)7(10)4-6/h2-4H,5H2,1H3.
What are the key properties of methyl 2-(3-chloro-4-fluorophenoxy)acetate?
methyl 2-(3-chloro-4-fluorophenoxy)acetate has a molecular weight of 218.61 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-chloro-4-fluorophenoxy)acetate is sourced from PubChem (CID 43235932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).