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

C17H17FO4 — CID 117243479

IUPACmethyl 2-(3-fluorophenyl)-3-(4-methoxyphenoxy)propanoate
SMILESCOC(=O)C(COc1ccc(OC)cc1)c1cccc(F)c1
InChIInChI=1S/C17H17FO4/c1-20-14-6-8-15(9-7-14)22-11-16(17(19)21-2)12-4-3-5-13(18)10-12/h3-10,16H,11H2,1-2H3
InChIKeyNFUXXDUJYDRXLB-UHFFFAOYSA-N
MW304.32 g/mol
LogP3.17
Rot. Bonds6

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

methyl 2-(3-fluorophenyl)-3-(4-methoxyphenoxy)propanoate (PubChem CID 117243479) has the molecular formula C17H17FO4 and a molecular weight of 304.32 g/mol. Its IUPAC name is methyl 2-(3-fluorophenyl)-3-(4-methoxyphenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-fluorophenyl)-3-(4-methoxyphenoxy)propanoate
PubChem CID117243479
Molecular FormulaC17H17FO4
Molecular Weight304.32 g/mol
Exact Mass304.11
IUPAC Namemethyl 2-(3-fluorophenyl)-3-(4-methoxyphenoxy)propanoate
SMILESCOC(=O)C(COc1ccc(OC)cc1)c1cccc(F)c1
InChIInChI=1S/C17H17FO4/c1-20-14-6-8-15(9-7-14)22-11-16(17(19)21-2)12-4-3-5-13(18)10-12/h3-10,16H,11H2,1-2H3
InChIKeyNFUXXDUJYDRXLB-UHFFFAOYSA-N
XLogP3.17
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(4-chlorophenoxy)-2-(3-fluorophenyl)propanoate
CID 117243472
methyl 2-(3-fluorophenyl)-3-(3-methylphenoxy)propanoate
CID 117243411
2-(3-fluorophenyl)-3-(4-methylphenoxy)propanoic acid
CID 117243463
methyl 3-(4-hydroxyphenoxy)-2-(4-methoxyphenyl)propanoate
CID 117245315
methyl 3-methoxy-2-(3-methoxyphenyl)propanoate
CID 117243532
methyl 2-(2-hydroxyphenyl)-3-(4-methoxyphenoxy)propanoate
CID 117244442
methyl 2-acetamido-2-(3-fluorophenyl)acetate
CID 116860635
3-(2-bromo-5-methoxyphenyl)-2-(3-fluorophenyl)propanoic acid
CID 79431080
2-(3-methoxyphenyl)-3-phenoxypropanoic acid
CID 117243370
methyl 3-(4-fluorophenoxy)-2-(2-hydroxyphenyl)propanoate
CID 117244434
methyl 2-aminooxy-2-(3-fluorophenyl)acetate
CID 105451939
(S)-(3-fluorophenyl)-(4-methoxyphenyl)methanol
CID 7154378

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluorophenyl)-3-(4-methoxyphenoxy)propanoate?
The IUPAC name of methyl 2-(3-fluorophenyl)-3-(4-methoxyphenoxy)propanoate (CID 117243479) is methyl 2-(3-fluorophenyl)-3-(4-methoxyphenoxy)propanoate.
What is the SMILES notation for methyl 2-(3-fluorophenyl)-3-(4-methoxyphenoxy)propanoate?
The canonical SMILES for methyl 2-(3-fluorophenyl)-3-(4-methoxyphenoxy)propanoate is COC(=O)C(COc1ccc(OC)cc1)c1cccc(F)c1.
What is the InChIKey of methyl 2-(3-fluorophenyl)-3-(4-methoxyphenoxy)propanoate?
The InChIKey is NFUXXDUJYDRXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO4/c1-20-14-6-8-15(9-7-14)22-11-16(17(19)21-2)12-4-3-5-13(18)10-12/h3-10,16H,11H2,1-2H3.
What are the key properties of methyl 2-(3-fluorophenyl)-3-(4-methoxyphenoxy)propanoate?
methyl 2-(3-fluorophenyl)-3-(4-methoxyphenoxy)propanoate has a molecular weight of 304.32 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluorophenyl)-3-(4-methoxyphenoxy)propanoate is sourced from PubChem (CID 117243479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).