2-(2-fluoro-3-methylphenoxy)propanoic acid

C10H11FO3 — CID 107655000

IUPAC2-(2-fluoro-3-methylphenoxy)propanoic acid
SMILESCc1cccc(OC(C)C(=O)O)c1F
InChIInChI=1S/C10H11FO3/c1-6-4-3-5-8(9(6)11)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)
InChIKeyGVIDXSUWKGQQTA-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.99
Rot. Bonds3

About 2-(2-fluoro-3-methylphenoxy)propanoic acid

2-(2-fluoro-3-methylphenoxy)propanoic acid (PubChem CID 107655000) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-(2-fluoro-3-methylphenoxy)propanoic acid.

Molecular Properties

Compound Name2-(2-fluoro-3-methylphenoxy)propanoic acid
PubChem CID107655000
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name2-(2-fluoro-3-methylphenoxy)propanoic acid
SMILESCc1cccc(OC(C)C(=O)O)c1F
InChIInChI=1S/C10H11FO3/c1-6-4-3-5-8(9(6)11)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)
InChIKeyGVIDXSUWKGQQTA-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2,3-difluorophenoxy)phenoxy]propanoic acid
CID 21274138
1-(2,4-dichlorophenyl)-2-(2-fluoro-3-methylphenoxy)propan-1-one
CID 107659489
(2S)-2-(2,4-difluorophenoxy)propanoic acid
CID 7268787
2-(4-methylquinolin-8-yl)oxypropanoic acid
CID 82580360
2-(2,3-difluorophenoxy)propanamide
CID 63038540
(2S)-2-[2-(trifluoromethoxy)phenoxy]propanoic acid
CID 103338212
propan-2-yl 2-(2-fluoro-3-methylphenoxy)acetate
CID 103988371
2-(4-fluorophenoxy)propanoic acid
CID 3872140
2-(2-ethoxyphenoxy)propanoic acid
CID 16771653
(2S)-2-(2-methylquinolin-8-yl)oxypropanoic acid
CID 30048247
2-(2-chloro-5-fluorophenoxy)propanoic acid
CID 126975852
2-(2-fluoro-3-methylphenyl)-2-methoxyacetic acid
CID 130877921

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methylphenoxy)propanoic acid?
The IUPAC name of 2-(2-fluoro-3-methylphenoxy)propanoic acid (CID 107655000) is 2-(2-fluoro-3-methylphenoxy)propanoic acid.
What is the SMILES notation for 2-(2-fluoro-3-methylphenoxy)propanoic acid?
The canonical SMILES for 2-(2-fluoro-3-methylphenoxy)propanoic acid is Cc1cccc(OC(C)C(=O)O)c1F.
What is the InChIKey of 2-(2-fluoro-3-methylphenoxy)propanoic acid?
The InChIKey is GVIDXSUWKGQQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-6-4-3-5-8(9(6)11)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13).
What are the key properties of 2-(2-fluoro-3-methylphenoxy)propanoic acid?
2-(2-fluoro-3-methylphenoxy)propanoic acid has a molecular weight of 198.19 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methylphenoxy)propanoic acid is sourced from PubChem (CID 107655000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).