2-(2-fluoro-5-methoxyphenoxy)acetic acid

C9H9FO4 — CID 84669223

IUPAC2-(2-fluoro-5-methoxyphenoxy)acetic acid
SMILESCOc1ccc(F)c(OCC(=O)O)c1
InChIInChI=1S/C9H9FO4/c1-13-6-2-3-7(10)8(4-6)14-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKeyAWORYNBZCQPXOE-UHFFFAOYSA-N
MW200.16 g/mol
LogP1.30
Rot. Bonds4

About 2-(2-fluoro-5-methoxyphenoxy)acetic acid

2-(2-fluoro-5-methoxyphenoxy)acetic acid (PubChem CID 84669223) has the molecular formula C9H9FO4 and a molecular weight of 200.16 g/mol. Its IUPAC name is 2-(2-fluoro-5-methoxyphenoxy)acetic acid.

Molecular Properties

Compound Name2-(2-fluoro-5-methoxyphenoxy)acetic acid
PubChem CID84669223
Molecular FormulaC9H9FO4
Molecular Weight200.16 g/mol
Exact Mass200.05
IUPAC Name2-(2-fluoro-5-methoxyphenoxy)acetic acid
SMILESCOc1ccc(F)c(OCC(=O)O)c1
InChIInChI=1S/C9H9FO4/c1-13-6-2-3-7(10)8(4-6)14-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKeyAWORYNBZCQPXOE-UHFFFAOYSA-N
XLogP1.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-methoxy-2-(trifluoromethyl)phenoxy]acetic acid
CID 142685473
2-(5-ethyl-2-fluorophenoxy)acetic acid
CID 89304520
2-(3-bromo-4-fluorophenoxy)acetic acid
CID 83231542
2-(5-methoxy-2-nitrophenoxy)acetic acid
CID 91683018
2-(5-chlorooxy-2-methylphenoxy)acetic acid
CID 159849914
3-(2-fluoro-5-methoxyphenyl)propanoic acid
CID 83402634
2-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethoxy]acetic acid
CID 61327400
2-[4-chloro-2-(3-fluoro-5-methoxybenzoyl)phenoxy]acetic acid
CID 58618193
2-[4-[1-(2,4-dimethoxyphenyl)ethyl]phenoxy]acetic acid
CID 20678011
2-(4-fluoro-3-propan-2-ylphenoxy)acetic acid
CID 126565610
3-(4-fluoro-3-methoxyphenoxy)-3-methylbutanoic acid
CID 146594826
1-fluoro-4-methoxy-2-phenoxybenzene
CID 162127309

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methoxyphenoxy)acetic acid?
The IUPAC name of 2-(2-fluoro-5-methoxyphenoxy)acetic acid (CID 84669223) is 2-(2-fluoro-5-methoxyphenoxy)acetic acid.
What is the SMILES notation for 2-(2-fluoro-5-methoxyphenoxy)acetic acid?
The canonical SMILES for 2-(2-fluoro-5-methoxyphenoxy)acetic acid is COc1ccc(F)c(OCC(=O)O)c1.
What is the InChIKey of 2-(2-fluoro-5-methoxyphenoxy)acetic acid?
The InChIKey is AWORYNBZCQPXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO4/c1-13-6-2-3-7(10)8(4-6)14-5-9(11)12/h2-4H,5H2,1H3,(H,11,12).
What are the key properties of 2-(2-fluoro-5-methoxyphenoxy)acetic acid?
2-(2-fluoro-5-methoxyphenoxy)acetic acid has a molecular weight of 200.16 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methoxyphenoxy)acetic acid is sourced from PubChem (CID 84669223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).