2-(2-fluoro-3,6-dimethylphenyl)-2-hydroxyacetic acid

C10H11FO3 — CID 130967567

IUPAC2-(2-fluoro-3,6-dimethylphenyl)-2-hydroxyacetic acid
SMILESCc1ccc(C)c(C(O)C(=O)O)c1F
InChIInChI=1S/C10H11FO3/c1-5-3-4-6(2)8(11)7(5)9(12)10(13)14/h3-4,9,12H,1-2H3,(H,13,14)
InChIKeyZIWPWFPJSFYFSN-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.56
Rot. Bonds2

About 2-(2-fluoro-3,6-dimethylphenyl)-2-hydroxyacetic acid

2-(2-fluoro-3,6-dimethylphenyl)-2-hydroxyacetic acid (PubChem CID 130967567) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-(2-fluoro-3,6-dimethylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2-fluoro-3,6-dimethylphenyl)-2-hydroxyacetic acid
PubChem CID130967567
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name2-(2-fluoro-3,6-dimethylphenyl)-2-hydroxyacetic acid
SMILESCc1ccc(C)c(C(O)C(=O)O)c1F
InChIInChI=1S/C10H11FO3/c1-5-3-4-6(2)8(11)7(5)9(12)10(13)14/h3-4,9,12H,1-2H3,(H,13,14)
InChIKeyZIWPWFPJSFYFSN-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluoro-6-methylphenyl)-2-hydroxyacetic acid
CID 119000982
2-(2-bromo-3-fluoro-4-methylphenyl)-2-hydroxyacetic acid
CID 117411611
2-(3-bromo-2-fluoro-6-iodophenyl)-2-hydroxyacetic acid
CID 171001373
2-(2-fluoro-5-hydroxy-3-methylphenyl)-2-hydroxyacetic acid
CID 117289043
2-(3,4-difluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 131032215
(2R)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetic acid
CID 131387020
2-[3-(difluoromethyl)-2,6-difluorophenyl]-2-hydroxyacetic acid
CID 119013695
2-(5-bromo-2-fluoro-3-methylphenyl)-2-hydroxyacetic acid
CID 83403424
(2S)-2-(2-chloro-3,6-difluorophenyl)-2-hydroxyacetic acid
CID 131460711
(2R)-2-hydroxy-2-(2,4,6-trifluorophenyl)acetic acid
CID 131599088
3-[2-[carboxy(hydroxy)methyl]-3-methylphenyl]propanoic acid
CID 118836363
2-(2-cyano-6-methyl-3-nitrophenyl)-2-hydroxyacetic acid
CID 170996317

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3,6-dimethylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2-fluoro-3,6-dimethylphenyl)-2-hydroxyacetic acid (CID 130967567) is 2-(2-fluoro-3,6-dimethylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2-fluoro-3,6-dimethylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2-fluoro-3,6-dimethylphenyl)-2-hydroxyacetic acid is Cc1ccc(C)c(C(O)C(=O)O)c1F.
What is the InChIKey of 2-(2-fluoro-3,6-dimethylphenyl)-2-hydroxyacetic acid?
The InChIKey is ZIWPWFPJSFYFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-5-3-4-6(2)8(11)7(5)9(12)10(13)14/h3-4,9,12H,1-2H3,(H,13,14).
What are the key properties of 2-(2-fluoro-3,6-dimethylphenyl)-2-hydroxyacetic acid?
2-(2-fluoro-3,6-dimethylphenyl)-2-hydroxyacetic acid has a molecular weight of 198.19 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3,6-dimethylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 130967567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).