ethyl 3-(2-fluoro-6-methoxyphenyl)propanoate

C12H15FO3 — CID 134640472

IUPACethyl 3-(2-fluoro-6-methoxyphenyl)propanoate
SMILESCCOC(=O)CCc1c(F)cccc1OC
InChIInChI=1S/C12H15FO3/c1-3-16-12(14)8-7-9-10(13)5-4-6-11(9)15-2/h4-6H,3,7-8H2,1-2H3
InChIKeyGKWGJNGULGAKGD-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.33
Rot. Bonds5

About ethyl 3-(2-fluoro-6-methoxyphenyl)propanoate

ethyl 3-(2-fluoro-6-methoxyphenyl)propanoate (PubChem CID 134640472) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is ethyl 3-(2-fluoro-6-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-fluoro-6-methoxyphenyl)propanoate
PubChem CID134640472
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Nameethyl 3-(2-fluoro-6-methoxyphenyl)propanoate
SMILESCCOC(=O)CCc1c(F)cccc1OC
InChIInChI=1S/C12H15FO3/c1-3-16-12(14)8-7-9-10(13)5-4-6-11(9)15-2/h4-6H,3,7-8H2,1-2H3
InChIKeyGKWGJNGULGAKGD-UHFFFAOYSA-N
XLogP2.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(2-chloro-6-methoxyphenyl)propanoate
CID 134632461
ethyl 3-(2-amino-6-fluorophenyl)propanoate
CID 174546302
ethyl 3-(3-methoxy-2-methylphenyl)propanoate
CID 68850412
ethyl 3-(2-fluoro-6-methoxyphenyl)-3-oxopropanoate
CID 67112522
ethyl 2-[4-[3-(2,6-dimethoxyphenyl)propanoylamino]phenyl]acetate
CID 100789290
(2-fluoro-6-methoxyphenyl)methanamine
CID 40786958
ethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate
CID 106681194
ethyl 4-[(2,6-difluorophenyl)methylamino]butanoate
CID 64579101
1-(2,6-dimethoxyphenyl)pentan-3-one
CID 116811041
ethyl 3-[4-[[2-fluoro-6-(4-methoxyphenyl)phenyl]methoxy]phenyl]propanoate
CID 90018758
methyl 2-amino-3-(2-fluoro-6-methoxyphenyl)propanoate
CID 83810004
ethyl 3-[2-methoxy-3-(trifluoromethoxy)phenyl]propanoate
CID 134632476

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-fluoro-6-methoxyphenyl)propanoate?
The IUPAC name of ethyl 3-(2-fluoro-6-methoxyphenyl)propanoate (CID 134640472) is ethyl 3-(2-fluoro-6-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 3-(2-fluoro-6-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 3-(2-fluoro-6-methoxyphenyl)propanoate is CCOC(=O)CCc1c(F)cccc1OC.
What is the InChIKey of ethyl 3-(2-fluoro-6-methoxyphenyl)propanoate?
The InChIKey is GKWGJNGULGAKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c1-3-16-12(14)8-7-9-10(13)5-4-6-11(9)15-2/h4-6H,3,7-8H2,1-2H3.
What are the key properties of ethyl 3-(2-fluoro-6-methoxyphenyl)propanoate?
ethyl 3-(2-fluoro-6-methoxyphenyl)propanoate has a molecular weight of 226.25 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-fluoro-6-methoxyphenyl)propanoate is sourced from PubChem (CID 134640472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).