methyl 3-(3-fluoro-2-methylphenyl)-2,3-dihydroxypropanoate

C11H13FO4 — CID 171863620

IUPACmethyl 3-(3-fluoro-2-methylphenyl)-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1cccc(F)c1C
InChIInChI=1S/C11H13FO4/c1-6-7(4-3-5-8(6)12)9(13)10(14)11(15)16-2/h3-5,9-10,13-14H,1-2H3
InChIKeySPVIKZMEERQZDN-UHFFFAOYSA-N
MW228.22 g/mol
LogP0.70
Rot. Bonds3

About methyl 3-(3-fluoro-2-methylphenyl)-2,3-dihydroxypropanoate

methyl 3-(3-fluoro-2-methylphenyl)-2,3-dihydroxypropanoate (PubChem CID 171863620) has the molecular formula C11H13FO4 and a molecular weight of 228.22 g/mol. Its IUPAC name is methyl 3-(3-fluoro-2-methylphenyl)-2,3-dihydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(3-fluoro-2-methylphenyl)-2,3-dihydroxypropanoate
PubChem CID171863620
Molecular FormulaC11H13FO4
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Namemethyl 3-(3-fluoro-2-methylphenyl)-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1cccc(F)c1C
InChIInChI=1S/C11H13FO4/c1-6-7(4-3-5-8(6)12)9(13)10(14)11(15)16-2/h3-5,9-10,13-14H,1-2H3
InChIKeySPVIKZMEERQZDN-UHFFFAOYSA-N
XLogP0.70
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2,3-difluorophenyl)-2,3-dihydroxypropanoate
CID 171863644
methyl (2S,3R)-2,3-dihydroxy-3-(2-methylphenyl)propanoate
CID 90018572
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
methyl (3R)-3-amino-3-(3-fluoro-2-methylphenyl)propanoate;hydrochloride
CID 171247663
methyl 3-(5-aminonaphthalen-1-yl)-2,3-dihydroxypropanoate
CID 171864828
4-amino-1-(3-fluoro-2-methylphenyl)butane-1,2-diol
CID 171880803
methyl 3-(3-chloro-2,4-difluorophenyl)-2,3-dihydroxypropanoate
CID 171863884
methyl 3-(4-amino-5-fluoro-2-methylphenyl)-2,3-dihydroxypropanoate
CID 171864078
methyl 3-(2-fluoro-4,5-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 171865301
methyl 3-(2,4-dihydroxy-3-methylphenyl)-2,3-dihydroxypropanoate
CID 171865261
methyl (2R,3S)-3-[2-(aminomethyl)phenyl]-2,3-dihydroxypropanoate
CID 150198821
methyl 3-(5-amino-2-methylphenyl)-2,3-dihydroxypropanoate
CID 171863792

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-fluoro-2-methylphenyl)-2,3-dihydroxypropanoate?
The IUPAC name of methyl 3-(3-fluoro-2-methylphenyl)-2,3-dihydroxypropanoate (CID 171863620) is methyl 3-(3-fluoro-2-methylphenyl)-2,3-dihydroxypropanoate.
What is the SMILES notation for methyl 3-(3-fluoro-2-methylphenyl)-2,3-dihydroxypropanoate?
The canonical SMILES for methyl 3-(3-fluoro-2-methylphenyl)-2,3-dihydroxypropanoate is COC(=O)C(O)C(O)c1cccc(F)c1C.
What is the InChIKey of methyl 3-(3-fluoro-2-methylphenyl)-2,3-dihydroxypropanoate?
The InChIKey is SPVIKZMEERQZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO4/c1-6-7(4-3-5-8(6)12)9(13)10(14)11(15)16-2/h3-5,9-10,13-14H,1-2H3.
What are the key properties of methyl 3-(3-fluoro-2-methylphenyl)-2,3-dihydroxypropanoate?
methyl 3-(3-fluoro-2-methylphenyl)-2,3-dihydroxypropanoate has a molecular weight of 228.22 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-fluoro-2-methylphenyl)-2,3-dihydroxypropanoate is sourced from PubChem (CID 171863620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).