2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoic acid

C9H9FO4 — CID 79366255

IUPAC2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoic acid
SMILESO=C(O)C(F)C(O)c1cccc(O)c1
InChIInChI=1S/C9H9FO4/c10-7(9(13)14)8(12)5-2-1-3-6(11)4-5/h1-4,7-8,11-12H,(H,13,14)
InChIKeyIDUXMKYYLAHDDA-UHFFFAOYSA-N
MW200.16 g/mol
LogP0.85
Rot. Bonds3

About 2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoic acid

2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoic acid (PubChem CID 79366255) has the molecular formula C9H9FO4 and a molecular weight of 200.16 g/mol. Its IUPAC name is 2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoic acid
PubChem CID79366255
Molecular FormulaC9H9FO4
Molecular Weight200.16 g/mol
Exact Mass200.05
IUPAC Name2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoic acid
SMILESO=C(O)C(F)C(O)c1cccc(O)c1
InChIInChI=1S/C9H9FO4/c10-7(9(13)14)8(12)5-2-1-3-6(11)4-5/h1-4,7-8,11-12H,(H,13,14)
InChIKeyIDUXMKYYLAHDDA-UHFFFAOYSA-N
XLogP0.85
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoate
CID 105467363
3-fluoro-2-(3-hydroxyphenyl)butanoic acid
CID 105451302
3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol;benzene
CID 70466970
(3S)-3-(3-hydroxyphenyl)-2,4-dimethylpentanoic acid
CID 67429644
methyl 2,3-dihydroxy-3-(3-hydroxyphenyl)propanoate
CID 171863514
3-fluoro-2-(3-hydroxyphenyl)-3-methylbutanoic acid
CID 84782271
3-[(1S)-2-amino-1-hydroxypropyl]phenol
CID 70582339
3-[(2S)-2-amino-1-hydroxypropyl]phenol
CID 102328188
3-[(1S)-1-amino-2,2-difluoroethyl]phenol
CID 130987764
2,3-dihydroxy-3-(3-hydroxyphenyl)propanenitrile
CID 171869668
3-[(1S,2S)-1-hydroxy-2-nitropropyl]phenol
CID 131629270
(2R)-2-(3-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid
CID 11086585

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoic acid (CID 79366255) is 2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoic acid is O=C(O)C(F)C(O)c1cccc(O)c1.
What is the InChIKey of 2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoic acid?
The InChIKey is IDUXMKYYLAHDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO4/c10-7(9(13)14)8(12)5-2-1-3-6(11)4-5/h1-4,7-8,11-12H,(H,13,14).
What are the key properties of 2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoic acid?
2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoic acid has a molecular weight of 200.16 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-hydroxy-3-(3-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 79366255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).