methyl 2-fluoro-3-hydroxy-3-(4-methoxyphenyl)propanoate

C11H13FO4 — CID 105485252

IUPACmethyl 2-fluoro-3-hydroxy-3-(4-methoxyphenyl)propanoate
SMILESCOC(=O)C(F)C(O)c1ccc(OC)cc1
InChIInChI=1S/C11H13FO4/c1-15-8-5-3-7(4-6-8)10(13)9(12)11(14)16-2/h3-6,9-10,13H,1-2H3
InChIKeyVJCQSBWDGHLVEF-UHFFFAOYSA-N
MW228.22 g/mol
LogP1.24
Rot. Bonds4

About methyl 2-fluoro-3-hydroxy-3-(4-methoxyphenyl)propanoate

methyl 2-fluoro-3-hydroxy-3-(4-methoxyphenyl)propanoate (PubChem CID 105485252) has the molecular formula C11H13FO4 and a molecular weight of 228.22 g/mol. Its IUPAC name is methyl 2-fluoro-3-hydroxy-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-fluoro-3-hydroxy-3-(4-methoxyphenyl)propanoate
PubChem CID105485252
Molecular FormulaC11H13FO4
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Namemethyl 2-fluoro-3-hydroxy-3-(4-methoxyphenyl)propanoate
SMILESCOC(=O)C(F)C(O)c1ccc(OC)cc1
InChIInChI=1S/C11H13FO4/c1-15-8-5-3-7(4-6-8)10(13)9(12)11(14)16-2/h3-6,9-10,13H,1-2H3
InChIKeyVJCQSBWDGHLVEF-UHFFFAOYSA-N
XLogP1.24
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,3R)-2,3-dihydroxy-3-(4-methoxyphenyl)propanoate
CID 11042413
methyl 2-[hydroxy-(4-methoxyphenyl)methyl]-3-methylbutanoate
CID 55071608
(1S,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol
CID 90478708
(1R,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol
CID 10707410
methyl 3-hydroxy-2-(methoxycarbonylamino)-3-(4-methoxyphenyl)propanoate
CID 84581659
methyl (2R,3S)-2,3-diamino-3-(4-methoxyphenyl)propanoate
CID 135055623
methyl 3-hydroxy-3-(4-methoxyphenyl)-2-(methylsulfanylmethyl)propanoate
CID 10754521
(2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 10965805
(2R,3R)-2,3-dihydroxy-3-(4-methoxyphenyl)propanal
CID 124563621
methyl 2-bromo-2-(4-methoxyphenyl)acetate
CID 10753737
dimethyl 2,5-bis(4-methoxyphenyl)-3,4-dioxohexanedioate
CID 11165893
CID 88961149
CID 88961149

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-3-hydroxy-3-(4-methoxyphenyl)propanoate?
The IUPAC name of methyl 2-fluoro-3-hydroxy-3-(4-methoxyphenyl)propanoate (CID 105485252) is methyl 2-fluoro-3-hydroxy-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for methyl 2-fluoro-3-hydroxy-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for methyl 2-fluoro-3-hydroxy-3-(4-methoxyphenyl)propanoate is COC(=O)C(F)C(O)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-fluoro-3-hydroxy-3-(4-methoxyphenyl)propanoate?
The InChIKey is VJCQSBWDGHLVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO4/c1-15-8-5-3-7(4-6-8)10(13)9(12)11(14)16-2/h3-6,9-10,13H,1-2H3.
What are the key properties of methyl 2-fluoro-3-hydroxy-3-(4-methoxyphenyl)propanoate?
methyl 2-fluoro-3-hydroxy-3-(4-methoxyphenyl)propanoate has a molecular weight of 228.22 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-3-hydroxy-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 105485252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).