3-(2-fluoro-6-hydroxy-3-methylphenyl)propanoic acid

C10H11FO3 — CID 84668059

IUPAC3-(2-fluoro-6-hydroxy-3-methylphenyl)propanoic acid
SMILESCc1ccc(O)c(CCC(=O)O)c1F
InChIInChI=1S/C10H11FO3/c1-6-2-4-8(12)7(10(6)11)3-5-9(13)14/h2,4,12H,3,5H2,1H3,(H,13,14)
InChIKeyCXRCUKOJHIAGOO-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.86
Rot. Bonds3

About 3-(2-fluoro-6-hydroxy-3-methylphenyl)propanoic acid

3-(2-fluoro-6-hydroxy-3-methylphenyl)propanoic acid (PubChem CID 84668059) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 3-(2-fluoro-6-hydroxy-3-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-fluoro-6-hydroxy-3-methylphenyl)propanoic acid
PubChem CID84668059
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name3-(2-fluoro-6-hydroxy-3-methylphenyl)propanoic acid
SMILESCc1ccc(O)c(CCC(=O)O)c1F
InChIInChI=1S/C10H11FO3/c1-6-2-4-8(12)7(10(6)11)3-5-9(13)14/h2,4,12H,3,5H2,1H3,(H,13,14)
InChIKeyCXRCUKOJHIAGOO-UHFFFAOYSA-N
XLogP1.86
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluoro-3,6-dihydroxyphenyl)propanoic acid
CID 84775687
3-fluoro-4-methyl-2-[2-(methylamino)ethyl]phenol
CID 84659080
3-(6-bromo-2-fluoro-3-hydroxyphenyl)propanoic acid
CID 84807152
3-fluoro-4-methyl-2-(sulfanylmethyl)phenol
CID 174607030
4-amino-4-(2-fluoro-6-hydroxy-3-methylphenyl)butanoic acid
CID 84691028
3-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)propanoic acid
CID 84687629
3-(6-hydroxy-2,3-dimethoxyphenyl)propanoic acid
CID 117325049
3-(3-tert-butyl-2-hydroxy-6-methylphenyl)propanoic acid
CID 117345064
3-(2,6-dihydroxy-3-methylphenyl)-1-phenylpropan-1-one
CID 171615161
3-(5-chloro-2-fluoro-3,6-dihydroxyphenyl)propanoic acid
CID 84797137
2-(6-chloro-2-fluoro-3-methylphenyl)acetic acid
CID 2773689
3-(2,4-difluoro-6-hydroxyphenyl)propanoic acid
CID 84776661

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-6-hydroxy-3-methylphenyl)propanoic acid?
The IUPAC name of 3-(2-fluoro-6-hydroxy-3-methylphenyl)propanoic acid (CID 84668059) is 3-(2-fluoro-6-hydroxy-3-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(2-fluoro-6-hydroxy-3-methylphenyl)propanoic acid?
The canonical SMILES for 3-(2-fluoro-6-hydroxy-3-methylphenyl)propanoic acid is Cc1ccc(O)c(CCC(=O)O)c1F.
What is the InChIKey of 3-(2-fluoro-6-hydroxy-3-methylphenyl)propanoic acid?
The InChIKey is CXRCUKOJHIAGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-6-2-4-8(12)7(10(6)11)3-5-9(13)14/h2,4,12H,3,5H2,1H3,(H,13,14).
What are the key properties of 3-(2-fluoro-6-hydroxy-3-methylphenyl)propanoic acid?
3-(2-fluoro-6-hydroxy-3-methylphenyl)propanoic acid has a molecular weight of 198.19 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-6-hydroxy-3-methylphenyl)propanoic acid is sourced from PubChem (CID 84668059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).