ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate

C12H15FO3 — CID 141121137

IUPACethyl 2-fluoro-3-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)C(F)Cc1ccc(OC)cc1
InChIInChI=1S/C12H15FO3/c1-3-16-12(14)11(13)8-9-4-6-10(15-2)7-5-9/h4-7,11H,3,8H2,1-2H3
InChIKeyHJOMRLHBMJZZAU-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.14
Rot. Bonds5

About ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate

ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate (PubChem CID 141121137) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-fluoro-3-(4-methoxyphenyl)propanoate
PubChem CID141121137
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Nameethyl 2-fluoro-3-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)C(F)Cc1ccc(OC)cc1
InChIInChI=1S/C12H15FO3/c1-3-16-12(14)11(13)8-9-4-6-10(15-2)7-5-9/h4-7,11H,3,8H2,1-2H3
InChIKeyHJOMRLHBMJZZAU-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-bromo-3-(4-methoxyphenyl)propanoate
CID 4737532
ethyl (2S)-2-methoxy-3-(4-methoxyphenyl)propanoate
CID 45101649
ethyl (2S)-2-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanoate
CID 71001645
diethyl 2-[2-bromo-3-(4-methoxyphenyl)propyl]propanedioate
CID 132573295
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
2-fluoro-3-(4-methoxyphenyl)propan-1-amine
CID 84718779
tetraethyl (2R,3S)-2,3-bis(4-methoxyphenyl)butane-1,1,4,4-tetracarboxylate
CID 10602909
ethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate
CID 102317664
ethyl (3R)-3-amino-2-fluoro-3-(4-methoxyphenyl)propanoate;hydrochloride
CID 171239902
ethyl 2-[(4-methoxyphenyl)methoxy]butanoate
CID 64663670
(3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane
CID 143607280
methyl 2-hydroxy-3-(4-methoxyphenyl)propanoate
CID 523519

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate?
The IUPAC name of ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate (CID 141121137) is ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate is CCOC(=O)C(F)Cc1ccc(OC)cc1.
What is the InChIKey of ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate?
The InChIKey is HJOMRLHBMJZZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c1-3-16-12(14)11(13)8-9-4-6-10(15-2)7-5-9/h4-7,11H,3,8H2,1-2H3.
What are the key properties of ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate?
ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate has a molecular weight of 226.25 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 141121137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).