2-(5-fluoro-2-methoxyphenyl)propanoic acid

C10H11FO3 — CID 79002336

IUPAC2-(5-fluoro-2-methoxyphenyl)propanoic acid
SMILESCOc1ccc(F)cc1C(C)C(=O)O
InChIInChI=1S/C10H11FO3/c1-6(10(12)13)8-5-7(11)3-4-9(8)14-2/h3-6H,1-2H3,(H,12,13)
InChIKeyNOPTYWYNOACULA-UHFFFAOYSA-N
MW198.19 g/mol
LogP2.02
Rot. Bonds3

About 2-(5-fluoro-2-methoxyphenyl)propanoic acid

2-(5-fluoro-2-methoxyphenyl)propanoic acid (PubChem CID 79002336) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)propanoic acid
PubChem CID79002336
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name2-(5-fluoro-2-methoxyphenyl)propanoic acid
SMILESCOc1ccc(F)cc1C(C)C(=O)O
InChIInChI=1S/C10H11FO3/c1-6(10(12)13)8-5-7(11)3-4-9(8)14-2/h3-6H,1-2H3,(H,12,13)
InChIKeyNOPTYWYNOACULA-UHFFFAOYSA-N
XLogP2.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(fluoromethyl)-2-methoxyphenyl]propanoic acid
CID 84679029
2-(5-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid
CID 117305116
2,3-diamino-3-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 116942190
(2S)-2-(2,5-difluorophenyl)propanoic acid
CID 93182242
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
4-amino-4-(5-fluoro-2-methoxyphenyl)butan-2-one
CID 116940506
4-(dimethylamino)-4-(5-fluoro-2-methoxyphenyl)-2-methylbutanoic acid
CID 116908253
3-(5-fluoro-2-methoxyphenyl)butan-2-ol
CID 82781916
2-(2,5-dimethoxy-4-methylsulfanylphenyl)propanoic acid
CID 117394352
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
5-(5-fluoro-2-methoxyphenyl)hexanoic acid
CID 112512385

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)propanoic acid?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)propanoic acid (CID 79002336) is 2-(5-fluoro-2-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)propanoic acid is COc1ccc(F)cc1C(C)C(=O)O.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)propanoic acid?
The InChIKey is NOPTYWYNOACULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-6(10(12)13)8-5-7(11)3-4-9(8)14-2/h3-6H,1-2H3,(H,12,13).
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)propanoic acid?
2-(5-fluoro-2-methoxyphenyl)propanoic acid has a molecular weight of 198.19 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 79002336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).