ethyl 3-(3-fluoro-5-methylphenyl)propanoate

C12H15FO2 — CID 79018311

IUPACethyl 3-(3-fluoro-5-methylphenyl)propanoate
SMILESCCOC(=O)CCc1cc(C)cc(F)c1
InChIInChI=1S/C12H15FO2/c1-3-15-12(14)5-4-10-6-9(2)7-11(13)8-10/h6-8H,3-5H2,1-2H3
InChIKeyDTKRVXYWGNTKFY-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.63
Rot. Bonds4

About ethyl 3-(3-fluoro-5-methylphenyl)propanoate

ethyl 3-(3-fluoro-5-methylphenyl)propanoate (PubChem CID 79018311) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is ethyl 3-(3-fluoro-5-methylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-fluoro-5-methylphenyl)propanoate
PubChem CID79018311
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Nameethyl 3-(3-fluoro-5-methylphenyl)propanoate
SMILESCCOC(=O)CCc1cc(C)cc(F)c1
InChIInChI=1S/C12H15FO2/c1-3-15-12(14)5-4-10-6-9(2)7-11(13)8-10/h6-8H,3-5H2,1-2H3
InChIKeyDTKRVXYWGNTKFY-UHFFFAOYSA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-(3,5-difluorophenyl)propanoate
CID 15209345
ethyl 3-(3-amino-5-fluorophenyl)propanoate
CID 170909551
ethyl 3-(3-ethoxy-3-oxopropyl)-5-fluorobenzoate
CID 134645106
ethyl 3-[3-(3-ethoxy-3-oxopropyl)-5-[(4-fluorophenyl)methyl]phenyl]propanoate
CID 19962355
propyl 3-(3,5-dimethylphenyl)propanoate
CID 173270360
tert-butyl 6-(3-fluoro-5-methylphenyl)-4-oxohexanoate
CID 58498148
ethyl 3-[3-(3-ethoxy-3-oxopropyl)-5-[(4-fluorophenyl)-hydroxymethyl]phenyl]propanoate
CID 19962357
ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
ethyl 3-[3-(3-amino-3-oxopropyl)-5-(4-fluorophenoxy)phenyl]propanoate
CID 139720628
ethyl 3-(3-ethenyl-4,5-difluorophenyl)propanoate
CID 57470571
2-O-[2-(3,5-difluorophenyl)ethyl] 1-O-ethyl oxalate
CID 91656034
ethyl 3-(3-bromo-5-hydroxyphenyl)propanoate
CID 134638917

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-fluoro-5-methylphenyl)propanoate?
The IUPAC name of ethyl 3-(3-fluoro-5-methylphenyl)propanoate (CID 79018311) is ethyl 3-(3-fluoro-5-methylphenyl)propanoate.
What is the SMILES notation for ethyl 3-(3-fluoro-5-methylphenyl)propanoate?
The canonical SMILES for ethyl 3-(3-fluoro-5-methylphenyl)propanoate is CCOC(=O)CCc1cc(C)cc(F)c1.
What is the InChIKey of ethyl 3-(3-fluoro-5-methylphenyl)propanoate?
The InChIKey is DTKRVXYWGNTKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-3-15-12(14)5-4-10-6-9(2)7-11(13)8-10/h6-8H,3-5H2,1-2H3.
What are the key properties of ethyl 3-(3-fluoro-5-methylphenyl)propanoate?
ethyl 3-(3-fluoro-5-methylphenyl)propanoate has a molecular weight of 210.25 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-fluoro-5-methylphenyl)propanoate is sourced from PubChem (CID 79018311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).