ethyl 3-(3-fluoro-4-methoxyphenyl)-2,3-dihydroxypropanoate

C12H15FO5 — CID 171865985

IUPACethyl 3-(3-fluoro-4-methoxyphenyl)-2,3-dihydroxypropanoate
SMILESCCOC(=O)C(O)C(O)c1ccc(OC)c(F)c1
InChIInChI=1S/C12H15FO5/c1-3-18-12(16)11(15)10(14)7-4-5-9(17-2)8(13)6-7/h4-6,10-11,14-15H,3H2,1-2H3
InChIKeyHOXYIQFCHVELKT-UHFFFAOYSA-N
MW258.24 g/mol
LogP0.79
Rot. Bonds5

About ethyl 3-(3-fluoro-4-methoxyphenyl)-2,3-dihydroxypropanoate

ethyl 3-(3-fluoro-4-methoxyphenyl)-2,3-dihydroxypropanoate (PubChem CID 171865985) has the molecular formula C12H15FO5 and a molecular weight of 258.24 g/mol. Its IUPAC name is ethyl 3-(3-fluoro-4-methoxyphenyl)-2,3-dihydroxypropanoate.

Molecular Properties

Compound Nameethyl 3-(3-fluoro-4-methoxyphenyl)-2,3-dihydroxypropanoate
PubChem CID171865985
Molecular FormulaC12H15FO5
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC Nameethyl 3-(3-fluoro-4-methoxyphenyl)-2,3-dihydroxypropanoate
SMILESCCOC(=O)C(O)C(O)c1ccc(OC)c(F)c1
InChIInChI=1S/C12H15FO5/c1-3-18-12(16)11(15)10(14)7-4-5-9(17-2)8(13)6-7/h4-6,10-11,14-15H,3H2,1-2H3
InChIKeyHOXYIQFCHVELKT-UHFFFAOYSA-N
XLogP0.79
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(3,4-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 74828202
diethyl 2-(3-fluoro-4-methoxyphenyl)propanedioate
CID 62795748
2-[5-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-2-methoxyphenyl]acetic acid
CID 171866985
ethyl 3-(4-bromo-3-methoxyphenyl)-2,3-dihydroxypropanoate
CID 171867216
4-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)-2-methoxybenzoic acid
CID 171866710
ethyl 5-amino-5-(3-fluoro-4-methoxyphenyl)-3-methylpentanoate
CID 62941655
ethyl 2-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyethylamino)acetate
CID 65096691
ethyl 3-(3-fluorophenyl)-2,3-dihydroxypropanoate
CID 171865537
methyl 2-(3-fluoro-4-methoxyphenyl)pentanoate
CID 112508521
2-(3-fluoro-4-methoxyphenyl)-2-hydroxyacetamide
CID 65101692
ethyl 3-(3,4-difluoro-5-hydroxyphenyl)-2,3-dihydroxypropanoate
CID 171866057
ethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate
CID 102298817

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-fluoro-4-methoxyphenyl)-2,3-dihydroxypropanoate?
The IUPAC name of ethyl 3-(3-fluoro-4-methoxyphenyl)-2,3-dihydroxypropanoate (CID 171865985) is ethyl 3-(3-fluoro-4-methoxyphenyl)-2,3-dihydroxypropanoate.
What is the SMILES notation for ethyl 3-(3-fluoro-4-methoxyphenyl)-2,3-dihydroxypropanoate?
The canonical SMILES for ethyl 3-(3-fluoro-4-methoxyphenyl)-2,3-dihydroxypropanoate is CCOC(=O)C(O)C(O)c1ccc(OC)c(F)c1.
What is the InChIKey of ethyl 3-(3-fluoro-4-methoxyphenyl)-2,3-dihydroxypropanoate?
The InChIKey is HOXYIQFCHVELKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO5/c1-3-18-12(16)11(15)10(14)7-4-5-9(17-2)8(13)6-7/h4-6,10-11,14-15H,3H2,1-2H3.
What are the key properties of ethyl 3-(3-fluoro-4-methoxyphenyl)-2,3-dihydroxypropanoate?
ethyl 3-(3-fluoro-4-methoxyphenyl)-2,3-dihydroxypropanoate has a molecular weight of 258.24 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-fluoro-4-methoxyphenyl)-2,3-dihydroxypropanoate is sourced from PubChem (CID 171865985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).