methyl 3-(4-chlorophenoxy)-2-(3-fluorophenyl)propanoate

C16H14ClFO3 — CID 117243472

IUPACmethyl 3-(4-chlorophenoxy)-2-(3-fluorophenyl)propanoate
SMILESCOC(=O)C(COc1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C16H14ClFO3/c1-20-16(19)15(11-3-2-4-13(18)9-11)10-21-14-7-5-12(17)6-8-14/h2-9,15H,10H2,1H3
InChIKeyXZYWIOMBZVTKEL-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.81
Rot. Bonds5

About methyl 3-(4-chlorophenoxy)-2-(3-fluorophenyl)propanoate

methyl 3-(4-chlorophenoxy)-2-(3-fluorophenyl)propanoate (PubChem CID 117243472) has the molecular formula C16H14ClFO3 and a molecular weight of 308.74 g/mol. Its IUPAC name is methyl 3-(4-chlorophenoxy)-2-(3-fluorophenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-chlorophenoxy)-2-(3-fluorophenyl)propanoate
PubChem CID117243472
Molecular FormulaC16H14ClFO3
Molecular Weight308.74 g/mol
Exact Mass308.06
IUPAC Namemethyl 3-(4-chlorophenoxy)-2-(3-fluorophenyl)propanoate
SMILESCOC(=O)C(COc1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C16H14ClFO3/c1-20-16(19)15(11-3-2-4-13(18)9-11)10-21-14-7-5-12(17)6-8-14/h2-9,15H,10H2,1H3
InChIKeyXZYWIOMBZVTKEL-UHFFFAOYSA-N
XLogP3.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3-fluorophenyl)-3-(4-methoxyphenoxy)propanoate
CID 117243479
methyl 2-(3-fluorophenyl)-3-(3-methylphenoxy)propanoate
CID 117243411
2-(3-fluorophenyl)-3-(4-methylphenoxy)propanoic acid
CID 117243463
3-(4-chlorophenoxy)-2-(3-methoxyphenyl)propanoic acid
CID 117243488
methyl 3-(3-chlorophenoxy)-2-(4-hydroxyphenyl)propanoate
CID 117245260
2-(4-chlorophenoxy)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide
CID 43017004
methyl 3-(4-chlorophenoxy)-2-methylpropanoate
CID 43537622
methyl (2S)-2-amino-3-(4-chlorophenoxy)propanoate
CID 99737689
methyl 2-acetamido-2-(3-fluorophenyl)acetate
CID 116860635
methyl 3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoate
CID 117244434
methyl 2-aminooxy-2-(3-fluorophenyl)acetate
CID 105451939
3-(4-fluorophenoxy)-2-(3-methylphenyl)propanoic acid
CID 117243455

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-chlorophenoxy)-2-(3-fluorophenyl)propanoate?
The IUPAC name of methyl 3-(4-chlorophenoxy)-2-(3-fluorophenyl)propanoate (CID 117243472) is methyl 3-(4-chlorophenoxy)-2-(3-fluorophenyl)propanoate.
What is the SMILES notation for methyl 3-(4-chlorophenoxy)-2-(3-fluorophenyl)propanoate?
The canonical SMILES for methyl 3-(4-chlorophenoxy)-2-(3-fluorophenyl)propanoate is COC(=O)C(COc1ccc(Cl)cc1)c1cccc(F)c1.
What is the InChIKey of methyl 3-(4-chlorophenoxy)-2-(3-fluorophenyl)propanoate?
The InChIKey is XZYWIOMBZVTKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO3/c1-20-16(19)15(11-3-2-4-13(18)9-11)10-21-14-7-5-12(17)6-8-14/h2-9,15H,10H2,1H3.
What are the key properties of methyl 3-(4-chlorophenoxy)-2-(3-fluorophenyl)propanoate?
methyl 3-(4-chlorophenoxy)-2-(3-fluorophenyl)propanoate has a molecular weight of 308.74 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-chlorophenoxy)-2-(3-fluorophenyl)propanoate is sourced from PubChem (CID 117243472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).