2-fluoro-2-(4-hydroxy-2-methylphenyl)propanoic acid

C10H11FO3 — CID 105426286

IUPAC2-fluoro-2-(4-hydroxy-2-methylphenyl)propanoic acid
SMILESCc1cc(O)ccc1C(C)(F)C(=O)O
InChIInChI=1S/C10H11FO3/c1-6-5-7(12)3-4-8(6)10(2,11)9(13)14/h3-5,12H,1-2H3,(H,13,14)
InChIKeyZCQMMCLKRUZTSO-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.97
Rot. Bonds2

About 2-fluoro-2-(4-hydroxy-2-methylphenyl)propanoic acid

2-fluoro-2-(4-hydroxy-2-methylphenyl)propanoic acid (PubChem CID 105426286) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-fluoro-2-(4-hydroxy-2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-fluoro-2-(4-hydroxy-2-methylphenyl)propanoic acid
PubChem CID105426286
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name2-fluoro-2-(4-hydroxy-2-methylphenyl)propanoic acid
SMILESCc1cc(O)ccc1C(C)(F)C(=O)O
InChIInChI=1S/C10H11FO3/c1-6-5-7(12)3-4-8(6)10(2,11)9(13)14/h3-5,12H,1-2H3,(H,13,14)
InChIKeyZCQMMCLKRUZTSO-UHFFFAOYSA-N
XLogP1.97
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)-2-fluoropropanoic acid
CID 105425199
3-methyl-4-[tris(4-hydroxy-2-methylphenyl)methyl]phenol
CID 153325022
4-(1-chloro-2-methylpropan-2-yl)-3-methylphenol
CID 68553693
methyl 2-(2,4-dimethylphenyl)-2-fluoropropanoate
CID 105464025
(2S)-2-amino-2-(2,4-dihydroxyphenyl)propanoic acid
CID 130650508
2-(2-bromo-4,5-dihydroxyphenyl)-2-fluoropropanoic acid
CID 105426090
3-tert-butyl-4-methylphenol
CID 13130216
benzene-1,4-diol;4-hydroxy-2-methylbenzoic acid
CID 67940861
benzene-1,3-diol;2,2,2-trifluoroacetic acid
CID 70611467
4-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)phenol
CID 84685342
3-methyl-4-(2,2,3,3-tetrafluoropropylsulfonyl)phenol
CID 23326379
2-amino-2-(2,4-dimethylphenyl)propanoic acid;hydrochloride
CID 82128471

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(4-hydroxy-2-methylphenyl)propanoic acid?
The IUPAC name of 2-fluoro-2-(4-hydroxy-2-methylphenyl)propanoic acid (CID 105426286) is 2-fluoro-2-(4-hydroxy-2-methylphenyl)propanoic acid.
What is the SMILES notation for 2-fluoro-2-(4-hydroxy-2-methylphenyl)propanoic acid?
The canonical SMILES for 2-fluoro-2-(4-hydroxy-2-methylphenyl)propanoic acid is Cc1cc(O)ccc1C(C)(F)C(=O)O.
What is the InChIKey of 2-fluoro-2-(4-hydroxy-2-methylphenyl)propanoic acid?
The InChIKey is ZCQMMCLKRUZTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-6-5-7(12)3-4-8(6)10(2,11)9(13)14/h3-5,12H,1-2H3,(H,13,14).
What are the key properties of 2-fluoro-2-(4-hydroxy-2-methylphenyl)propanoic acid?
2-fluoro-2-(4-hydroxy-2-methylphenyl)propanoic acid has a molecular weight of 198.19 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(4-hydroxy-2-methylphenyl)propanoic acid is sourced from PubChem (CID 105426286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).