methyl 3-(4-fluorophenyl)-2,3-dihydroxypropanoate

C10H11FO4 — CID 15056442

IUPACmethyl 3-(4-fluorophenyl)-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1ccc(F)cc1
InChIInChI=1S/C10H11FO4/c1-15-10(14)9(13)8(12)6-2-4-7(11)5-3-6/h2-5,8-9,12-13H,1H3
InChIKeyCBMHFYZDPQFNNM-UHFFFAOYSA-N
MW214.19 g/mol
LogP0.39
Rot. Bonds3

About methyl 3-(4-fluorophenyl)-2,3-dihydroxypropanoate

methyl 3-(4-fluorophenyl)-2,3-dihydroxypropanoate (PubChem CID 15056442) has the molecular formula C10H11FO4 and a molecular weight of 214.19 g/mol. Its IUPAC name is methyl 3-(4-fluorophenyl)-2,3-dihydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(4-fluorophenyl)-2,3-dihydroxypropanoate
PubChem CID15056442
Molecular FormulaC10H11FO4
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Namemethyl 3-(4-fluorophenyl)-2,3-dihydroxypropanoate
SMILESCOC(=O)C(O)C(O)c1ccc(F)cc1
InChIInChI=1S/C10H11FO4/c1-15-10(14)9(13)8(12)6-2-4-7(11)5-3-6/h2-5,8-9,12-13H,1H3
InChIKeyCBMHFYZDPQFNNM-UHFFFAOYSA-N
XLogP0.39
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,3R)-2,3-dihydroxy-3-(4-methoxyphenyl)propanoate
CID 11042413
methyl 3-(3,4-difluorophenyl)-2,3-dihydroxypropanoate
CID 171863651
methyl 2,3-dihydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]propanoate
CID 171864586
methyl (2R)-2-bromo-2-(4-fluorophenyl)acetate
CID 41166941
(2R)-2-(4-fluorophenyl)-2-hydroxyacetic acid;methyl 2-(4-fluorophenyl)-2-hydroxyacetate
CID 161223884
methyl 3-(2,6-difluoro-4-pyridinyl)-2,3-dihydroxypropanoate
CID 171865158
methyl 2-(4-fluorophenyl)but-3-enoate
CID 146844756
(2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoate
CID 44629566
methyl 3-(4-bromo-3,5-difluorophenyl)-2,3-dihydroxypropanoate
CID 171865169
methyl 3-(3-cyano-4-fluorophenyl)-2,3-dihydroxypropanoate
CID 171864069
methyl 2,3-dihydroxy-3-[4-[(E)-3-oxobut-1-enyl]phenyl]propanoate
CID 132520989
methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanoate
CID 171865239

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-fluorophenyl)-2,3-dihydroxypropanoate?
The IUPAC name of methyl 3-(4-fluorophenyl)-2,3-dihydroxypropanoate (CID 15056442) is methyl 3-(4-fluorophenyl)-2,3-dihydroxypropanoate.
What is the SMILES notation for methyl 3-(4-fluorophenyl)-2,3-dihydroxypropanoate?
The canonical SMILES for methyl 3-(4-fluorophenyl)-2,3-dihydroxypropanoate is COC(=O)C(O)C(O)c1ccc(F)cc1.
What is the InChIKey of methyl 3-(4-fluorophenyl)-2,3-dihydroxypropanoate?
The InChIKey is CBMHFYZDPQFNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO4/c1-15-10(14)9(13)8(12)6-2-4-7(11)5-3-6/h2-5,8-9,12-13H,1H3.
What are the key properties of methyl 3-(4-fluorophenyl)-2,3-dihydroxypropanoate?
methyl 3-(4-fluorophenyl)-2,3-dihydroxypropanoate has a molecular weight of 214.19 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-fluorophenyl)-2,3-dihydroxypropanoate is sourced from PubChem (CID 15056442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).