ethyl 2-fluoro-3-hydroxy-3-(2,4,6-trimethoxyphenyl)propanoate

C14H19FO6 — CID 79369051

IUPACethyl 2-fluoro-3-hydroxy-3-(2,4,6-trimethoxyphenyl)propanoate
SMILESCCOC(=O)C(F)C(O)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C14H19FO6/c1-5-21-14(17)12(15)13(16)11-9(19-3)6-8(18-2)7-10(11)20-4/h6-7,12-13,16H,5H2,1-4H3
InChIKeyGKBUAROZTVAOSK-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.65
Rot. Bonds7

About ethyl 2-fluoro-3-hydroxy-3-(2,4,6-trimethoxyphenyl)propanoate

ethyl 2-fluoro-3-hydroxy-3-(2,4,6-trimethoxyphenyl)propanoate (PubChem CID 79369051) has the molecular formula C14H19FO6 and a molecular weight of 302.30 g/mol. Its IUPAC name is ethyl 2-fluoro-3-hydroxy-3-(2,4,6-trimethoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-fluoro-3-hydroxy-3-(2,4,6-trimethoxyphenyl)propanoate
PubChem CID79369051
Molecular FormulaC14H19FO6
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Nameethyl 2-fluoro-3-hydroxy-3-(2,4,6-trimethoxyphenyl)propanoate
SMILESCCOC(=O)C(F)C(O)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C14H19FO6/c1-5-21-14(17)12(15)13(16)11-9(19-3)6-8(18-2)7-10(11)20-4/h6-7,12-13,16H,5H2,1-4H3
InChIKeyGKBUAROZTVAOSK-UHFFFAOYSA-N
XLogP1.65
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-fluoro-3-hydroxy-3-(2,4,6-trimethoxyphenyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (3R)-3-amino-2-fluoro-3-(2-hydroxy-4,6-dimethoxyphenyl)propanoate;hydrochloride
CID 171242047
ethyl (3S)-3-amino-2-fluoro-3-(4-hydroxy-2,6-dimethoxyphenyl)propanoate;hydrochloride
CID 171248752
ethyl 2-(methylamino)-2-(2,4,6-trimethoxyphenyl)acetate
CID 60787918
2-propyl-1-(2,4,6-trimethoxyphenyl)pentan-1-ol
CID 82990027
ethyl 3-(3-bromo-4-methoxyphenyl)-2-fluoro-3-hydroxypropanoate
CID 79366831
ethyl (3S)-3-amino-3-(2,5-dimethoxyphenyl)-2-fluoropropanoate
CID 171246365
2-hydroxy-2-(2,4,6-trimethoxyphenyl)acetamide
CID 62225648
ethyl (3R)-3-amino-3-(2,6-dimethoxyphenyl)-2-fluoropropanoate;hydrochloride
CID 171240018
diethyl 2-[(E)-3-(2,4,6-trimethoxyphenyl)prop-2-enyl]propanedioate
CID 132570382
diethyl 2-methylpropanedioate;1,3,5-trimethoxybenzene
CID 174557224
(1R)-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride
CID 171201061
methyl 2-(propylamino)-2-(2,4,6-trimethoxyphenyl)acetate
CID 60796374

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-3-hydroxy-3-(2,4,6-trimethoxyphenyl)propanoate?
The IUPAC name of ethyl 2-fluoro-3-hydroxy-3-(2,4,6-trimethoxyphenyl)propanoate (CID 79369051) is ethyl 2-fluoro-3-hydroxy-3-(2,4,6-trimethoxyphenyl)propanoate.
What is the SMILES notation for ethyl 2-fluoro-3-hydroxy-3-(2,4,6-trimethoxyphenyl)propanoate?
The canonical SMILES for ethyl 2-fluoro-3-hydroxy-3-(2,4,6-trimethoxyphenyl)propanoate is CCOC(=O)C(F)C(O)c1c(OC)cc(OC)cc1OC.
What is the InChIKey of ethyl 2-fluoro-3-hydroxy-3-(2,4,6-trimethoxyphenyl)propanoate?
The InChIKey is GKBUAROZTVAOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO6/c1-5-21-14(17)12(15)13(16)11-9(19-3)6-8(18-2)7-10(11)20-4/h6-7,12-13,16H,5H2,1-4H3.
What are the key properties of ethyl 2-fluoro-3-hydroxy-3-(2,4,6-trimethoxyphenyl)propanoate?
ethyl 2-fluoro-3-hydroxy-3-(2,4,6-trimethoxyphenyl)propanoate has a molecular weight of 302.30 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-3-hydroxy-3-(2,4,6-trimethoxyphenyl)propanoate is sourced from PubChem (CID 79369051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).