2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid

C10H11FO3 — CID 84668061

IUPAC2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid
SMILESCOc1cc(C)c(F)cc1CC(=O)O
InChIInChI=1S/C10H11FO3/c1-6-3-9(14-2)7(4-8(6)11)5-10(12)13/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyRWMSTBKBAXMIEU-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.77
Rot. Bonds3

About 2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid

2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid (PubChem CID 84668061) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid
PubChem CID84668061
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid
SMILESCOc1cc(C)c(F)cc1CC(=O)O
InChIInChI=1S/C10H11FO3/c1-6-3-9(14-2)7(4-8(6)11)5-10(12)13/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyRWMSTBKBAXMIEU-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117280159
2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)acetic acid
CID 117409770
2-(5-fluoro-2-methoxy-4-methylphenyl)ethanamine
CID 55254656
3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)propanoic acid
CID 84691033
2-amino-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid
CID 117326521
2-(4,5-dihydroxy-2-methoxyphenyl)acetic acid
CID 141381031
2-(4-fluoro-3-methoxy-5-methylphenyl)acetic acid
CID 117287612
2-(5-fluoro-2-methoxy-4-methylphenyl)-N-methylethanamine
CID 84667680
2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]acetic acid
CID 117328325
2-(4,5-diamino-2-methoxyphenyl)acetic acid
CID 171010739
2-[2,5-dimethoxy-4-(methoxymethyl)phenyl]acetic acid
CID 117353062
2-(4-fluoro-2-methoxy-5-methylphenyl)-2-oxoacetic acid
CID 117302524

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid?
The IUPAC name of 2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid (CID 84668061) is 2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid.
What is the SMILES notation for 2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid?
The canonical SMILES for 2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid is COc1cc(C)c(F)cc1CC(=O)O.
What is the InChIKey of 2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid?
The InChIKey is RWMSTBKBAXMIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-6-3-9(14-2)7(4-8(6)11)5-10(12)13/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid?
2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid has a molecular weight of 198.19 g/mol, XLogP of 1.77, 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-methoxy-4-methylphenyl)acetic acid is sourced from PubChem (CID 84668061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).