3-(5-fluoro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)propanoic acid

C12H15FO4 — CID 84703264

IUPAC3-(5-fluoro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)propanoic acid
SMILESCOc1c(C)c(F)c(C)c(CCC(=O)O)c1O
InChIInChI=1S/C12H15FO4/c1-6-8(4-5-9(14)15)11(16)12(17-3)7(2)10(6)13/h16H,4-5H2,1-3H3,(H,14,15)
InChIKeyODTWISSWQUVDCH-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.17
Rot. Bonds4

About 3-(5-fluoro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)propanoic acid

3-(5-fluoro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)propanoic acid (PubChem CID 84703264) has the molecular formula C12H15FO4 and a molecular weight of 242.25 g/mol. Its IUPAC name is 3-(5-fluoro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(5-fluoro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)propanoic acid
PubChem CID84703264
Molecular FormulaC12H15FO4
Molecular Weight242.25 g/mol
Exact Mass242.10
IUPAC Name3-(5-fluoro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)propanoic acid
SMILESCOc1c(C)c(F)c(C)c(CCC(=O)O)c1O
InChIInChI=1S/C12H15FO4/c1-6-8(4-5-9(14)15)11(16)12(17-3)7(2)10(6)13/h16H,4-5H2,1-3H3,(H,14,15)
InChIKeyODTWISSWQUVDCH-UHFFFAOYSA-N
XLogP2.17
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-2-hydroxy-3-methoxy-4,6-dimethylphenyl)propanoic acid
CID 117488022
3-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)propanoic acid
CID 117400395
3-(4-fluoro-2,5-dimethoxy-3,6-dimethylphenyl)propanoic acid
CID 117393987
3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoic acid
CID 22943714
3-(2-fluoro-3-hydroxy-4-methoxy-5-methylphenyl)propanoic acid
CID 117328457
3-(3-fluoro-2-hydroxy-5,6-dimethoxyphenyl)propanoic acid
CID 117361952
10-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)decanoic acid;sulfuric acid
CID 88674075
3-(4-hydroxy-2,3,5,6-tetramethylphenyl)propanoic acid
CID 23268445
3-(2,3-difluoro-5,6-dimethoxyphenyl)propanoic acid
CID 117367256
3-[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]propanoic acid
CID 151028197
3-(5-chloro-4-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid
CID 84706671
3-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)propanoic acid
CID 84696203

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)propanoic acid?
The IUPAC name of 3-(5-fluoro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)propanoic acid (CID 84703264) is 3-(5-fluoro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)propanoic acid.
What is the SMILES notation for 3-(5-fluoro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)propanoic acid?
The canonical SMILES for 3-(5-fluoro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)propanoic acid is COc1c(C)c(F)c(C)c(CCC(=O)O)c1O.
What is the InChIKey of 3-(5-fluoro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)propanoic acid?
The InChIKey is ODTWISSWQUVDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO4/c1-6-8(4-5-9(14)15)11(16)12(17-3)7(2)10(6)13/h16H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 3-(5-fluoro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)propanoic acid?
3-(5-fluoro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)propanoic acid has a molecular weight of 242.25 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)propanoic acid is sourced from PubChem (CID 84703264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).