methyl 2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoate

C10H11FO4 — CID 105467363

IUPACmethyl 2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoate
SMILESCOC(=O)C(F)C(O)c1cccc(O)c1
InChIInChI=1S/C10H11FO4/c1-15-10(14)8(11)9(13)6-3-2-4-7(12)5-6/h2-5,8-9,12-13H,1H3
InChIKeyGLMBAPZNUBCUIC-UHFFFAOYSA-N
MW214.19 g/mol
LogP0.94
Rot. Bonds3

About methyl 2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoate

methyl 2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoate (PubChem CID 105467363) has the molecular formula C10H11FO4 and a molecular weight of 214.19 g/mol. Its IUPAC name is methyl 2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoate
PubChem CID105467363
Molecular FormulaC10H11FO4
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Namemethyl 2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoate
SMILESCOC(=O)C(F)C(O)c1cccc(O)c1
InChIInChI=1S/C10H11FO4/c1-15-10(14)8(11)9(13)6-3-2-4-7(12)5-6/h2-5,8-9,12-13H,1H3
InChIKeyGLMBAPZNUBCUIC-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2,3-dihydroxy-3-(3-hydroxyphenyl)propanoate
CID 171863514
2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoic acid
CID 79366255
methyl 3-[3-(difluoromethyl)phenyl]-3-hydroxy-2-methylpropanoate
CID 115528620
methyl 2-fluoro-3-hydroxy-3-(4-methoxyphenyl)propanoate
CID 105485252
ethyl (3R)-2-fluoro-3-hydroxy-3-(3-methylphenyl)propanoate
CID 23236665
methyl 2-(3-hydroxyphenyl)-3-methylsulfanylpropanoate
CID 117243533
3-[(1S)-2-amino-1-hydroxypropyl]phenol
CID 70582339
3-[(2S)-2-amino-1-hydroxypropyl]phenol
CID 102328188
methyl 3-(dimethylamino)-2-(3-hydroxyphenyl)propanoate
CID 117243253
3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol;benzene
CID 70466970
(2S)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide
CID 61153949
3-fluoro-2-(3-hydroxyphenyl)butanoic acid
CID 105451302

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoate?
The IUPAC name of methyl 2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoate (CID 105467363) is methyl 2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoate.
What is the SMILES notation for methyl 2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoate?
The canonical SMILES for methyl 2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoate is COC(=O)C(F)C(O)c1cccc(O)c1.
What is the InChIKey of methyl 2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoate?
The InChIKey is GLMBAPZNUBCUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO4/c1-15-10(14)8(11)9(13)6-3-2-4-7(12)5-6/h2-5,8-9,12-13H,1H3.
What are the key properties of methyl 2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoate?
methyl 2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoate has a molecular weight of 214.19 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoate is sourced from PubChem (CID 105467363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).