methyl 2-(3-fluorophenyl)-3-(3-methylphenoxy)propanoate

C17H17FO3 — CID 117243411

IUPACmethyl 2-(3-fluorophenyl)-3-(3-methylphenoxy)propanoate
SMILESCOC(=O)C(COc1cccc(C)c1)c1cccc(F)c1
InChIInChI=1S/C17H17FO3/c1-12-5-3-8-15(9-12)21-11-16(17(19)20-2)13-6-4-7-14(18)10-13/h3-10,16H,11H2,1-2H3
InChIKeyGBJXHYSWPFFOMD-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.47
Rot. Bonds5

About methyl 2-(3-fluorophenyl)-3-(3-methylphenoxy)propanoate

methyl 2-(3-fluorophenyl)-3-(3-methylphenoxy)propanoate (PubChem CID 117243411) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is methyl 2-(3-fluorophenyl)-3-(3-methylphenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-fluorophenyl)-3-(3-methylphenoxy)propanoate
PubChem CID117243411
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Namemethyl 2-(3-fluorophenyl)-3-(3-methylphenoxy)propanoate
SMILESCOC(=O)C(COc1cccc(C)c1)c1cccc(F)c1
InChIInChI=1S/C17H17FO3/c1-12-5-3-8-15(9-12)21-11-16(17(19)20-2)13-6-4-7-14(18)10-13/h3-10,16H,11H2,1-2H3
InChIKeyGBJXHYSWPFFOMD-UHFFFAOYSA-N
XLogP3.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.47
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 3-(4-chlorophenoxy)-2-(3-fluorophenyl)propanoate
CID 117243472
methyl 3-methoxy-2-(3-methylphenyl)propanoate
CID 117243517
methyl 3-(3-methylphenoxy)-2-(5-methylthiophen-2-yl)propanoate
CID 117241015
2-(3-fluorophenyl)-3-(4-methylphenoxy)propanoic acid
CID 117243463
3-(3-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]butanamide
CID 111422356
3-(4-fluorophenoxy)-2-(3-methylphenyl)propanoic acid
CID 117243455
methyl 3-(2-chlorophenoxy)-2-(3-methylphenyl)propanoate
CID 117243342
methyl 4-methyl-2-[(3-methylphenoxy)methyl]pentanoate
CID 117242158
3-(3-fluorophenoxy)-2-(3-methylphenyl)propan-1-ol
CID 117243039
methyl 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propanoate
CID 61499402
methyl 3-methoxy-2-(3-methoxyphenyl)propanoate
CID 117243532

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluorophenyl)-3-(3-methylphenoxy)propanoate?
The IUPAC name of methyl 2-(3-fluorophenyl)-3-(3-methylphenoxy)propanoate (CID 117243411) is methyl 2-(3-fluorophenyl)-3-(3-methylphenoxy)propanoate.
What is the SMILES notation for methyl 2-(3-fluorophenyl)-3-(3-methylphenoxy)propanoate?
The canonical SMILES for methyl 2-(3-fluorophenyl)-3-(3-methylphenoxy)propanoate is COC(=O)C(COc1cccc(C)c1)c1cccc(F)c1.
What is the InChIKey of methyl 2-(3-fluorophenyl)-3-(3-methylphenoxy)propanoate?
The InChIKey is GBJXHYSWPFFOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c1-12-5-3-8-15(9-12)21-11-16(17(19)20-2)13-6-4-7-14(18)10-13/h3-10,16H,11H2,1-2H3.
What are the key properties of methyl 2-(3-fluorophenyl)-3-(3-methylphenoxy)propanoate?
methyl 2-(3-fluorophenyl)-3-(3-methylphenoxy)propanoate has a molecular weight of 288.32 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluorophenyl)-3-(3-methylphenoxy)propanoate is sourced from PubChem (CID 117243411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).