3-(2-fluoro-5-hydroxy-3-methylphenyl)-2-methylpropanoic acid

C11H13FO3 — CID 117302913

IUPAC3-(2-fluoro-5-hydroxy-3-methylphenyl)-2-methylpropanoic acid
SMILESCc1cc(O)cc(CC(C)C(=O)O)c1F
InChIInChI=1S/C11H13FO3/c1-6-4-9(13)5-8(10(6)12)3-7(2)11(14)15/h4-5,7,13H,3H2,1-2H3,(H,14,15)
InChIKeyWMPMAKYTAOELQL-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.10
Rot. Bonds3

About 3-(2-fluoro-5-hydroxy-3-methylphenyl)-2-methylpropanoic acid

3-(2-fluoro-5-hydroxy-3-methylphenyl)-2-methylpropanoic acid (PubChem CID 117302913) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 3-(2-fluoro-5-hydroxy-3-methylphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-fluoro-5-hydroxy-3-methylphenyl)-2-methylpropanoic acid
PubChem CID117302913
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name3-(2-fluoro-5-hydroxy-3-methylphenyl)-2-methylpropanoic acid
SMILESCc1cc(O)cc(CC(C)C(=O)O)c1F
InChIInChI=1S/C11H13FO3/c1-6-4-9(13)5-8(10(6)12)3-7(2)11(14)15/h4-5,7,13H,3H2,1-2H3,(H,14,15)
InChIKeyWMPMAKYTAOELQL-UHFFFAOYSA-N
XLogP2.10
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-hydroxy-4,5-dimethylphenyl)-2-methylpropanoic acid
CID 131600841
3-(2-fluoro-4-hydroxy-3-methoxy-5-methylphenyl)-2-methylpropanoic acid
CID 117357352
3-(5-fluoro-2,4-dimethylphenyl)-2-methylpropanoic acid
CID 84781211
3-(5-bromo-2,3-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid
CID 117475605
3-(2,5-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid
CID 117307767
3-(2,3-difluoro-4-hydroxyphenyl)-2-methylpropanoic acid
CID 117307764
3-(3-bromo-4-fluoro-5-methylphenyl)-2-methylpropanoic acid
CID 84714116
3-[5-(difluoromethyl)-2,3-difluorophenyl]-2-methylpropanoic acid
CID 117378292
2-(2-fluoro-5-hydroxy-3-methylphenyl)-2-hydroxyacetic acid
CID 117289043
3-(2,4-difluoro-3,5-dimethoxyphenyl)-2-methylpropanoic acid
CID 117404338
3-(2-hydroxy-5-methoxy-4-methylphenyl)-2-methylpropanoic acid
CID 117321917
3-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]-2-methylpropanoic acid
CID 117490387

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-hydroxy-3-methylphenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(2-fluoro-5-hydroxy-3-methylphenyl)-2-methylpropanoic acid (CID 117302913) is 3-(2-fluoro-5-hydroxy-3-methylphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-fluoro-5-hydroxy-3-methylphenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(2-fluoro-5-hydroxy-3-methylphenyl)-2-methylpropanoic acid is Cc1cc(O)cc(CC(C)C(=O)O)c1F.
What is the InChIKey of 3-(2-fluoro-5-hydroxy-3-methylphenyl)-2-methylpropanoic acid?
The InChIKey is WMPMAKYTAOELQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-6-4-9(13)5-8(10(6)12)3-7(2)11(14)15/h4-5,7,13H,3H2,1-2H3,(H,14,15).
What are the key properties of 3-(2-fluoro-5-hydroxy-3-methylphenyl)-2-methylpropanoic acid?
3-(2-fluoro-5-hydroxy-3-methylphenyl)-2-methylpropanoic acid has a molecular weight of 212.22 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-hydroxy-3-methylphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 117302913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).