2-(2-fluoro-3-methylphenyl)-2-methoxyacetic acid

C10H11FO3 — CID 130877921

IUPAC2-(2-fluoro-3-methylphenyl)-2-methoxyacetic acid
SMILESCOC(C(=O)O)c1cccc(C)c1F
InChIInChI=1S/C10H11FO3/c1-6-4-3-5-7(8(6)11)9(14-2)10(12)13/h3-5,9H,1-2H3,(H,12,13)
InChIKeyJOIIFLKDQFNYJB-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.91
Rot. Bonds3

About 2-(2-fluoro-3-methylphenyl)-2-methoxyacetic acid

2-(2-fluoro-3-methylphenyl)-2-methoxyacetic acid (PubChem CID 130877921) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-(2-fluoro-3-methylphenyl)-2-methoxyacetic acid.

Molecular Properties

Compound Name2-(2-fluoro-3-methylphenyl)-2-methoxyacetic acid
PubChem CID130877921
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name2-(2-fluoro-3-methylphenyl)-2-methoxyacetic acid
SMILESCOC(C(=O)O)c1cccc(C)c1F
InChIInChI=1S/C10H11FO3/c1-6-4-3-5-7(8(6)11)9(14-2)10(12)13/h3-5,9H,1-2H3,(H,12,13)
InChIKeyJOIIFLKDQFNYJB-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-fluoro-3-methylphenyl)-2-methoxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(2-bromophenyl)-2-methoxyacetic acid
CID 124585261
(2R)-2-(2-chlorophenyl)-2-methoxyacetic acid
CID 91331586
2-(2,3-dimethoxyphenyl)-2-methoxyacetic acid
CID 83224228
2-(5-chloro-2-fluorophenyl)-2-methoxyacetic acid
CID 114868069
2-methoxy-2-(2-methylphenyl)-1-phenylethanone
CID 71321553
2-(difluoromethoxy)-2-(2-methylphenyl)acetic acid
CID 84723828
2-(2-fluoro-3-methylphenoxy)propanoic acid
CID 107655000
1-chloro-1-(2-fluoro-3-methylphenyl)propan-2-one
CID 131010218
2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)acetic acid
CID 83839387
1-(2,6-dimethylphenyl)-1-methoxypropan-2-one
CID 83224357
1-(difluoromethyl)-2-fluoro-3-methylbenzene;ethane
CID 164564324
2-[bromo-(2-fluoro-3-methylphenyl)methyl]-1,3-difluoro-5-methoxybenzene
CID 81476978

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methylphenyl)-2-methoxyacetic acid?
The IUPAC name of 2-(2-fluoro-3-methylphenyl)-2-methoxyacetic acid (CID 130877921) is 2-(2-fluoro-3-methylphenyl)-2-methoxyacetic acid.
What is the SMILES notation for 2-(2-fluoro-3-methylphenyl)-2-methoxyacetic acid?
The canonical SMILES for 2-(2-fluoro-3-methylphenyl)-2-methoxyacetic acid is COC(C(=O)O)c1cccc(C)c1F.
What is the InChIKey of 2-(2-fluoro-3-methylphenyl)-2-methoxyacetic acid?
The InChIKey is JOIIFLKDQFNYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-6-4-3-5-7(8(6)11)9(14-2)10(12)13/h3-5,9H,1-2H3,(H,12,13).
What are the key properties of 2-(2-fluoro-3-methylphenyl)-2-methoxyacetic acid?
2-(2-fluoro-3-methylphenyl)-2-methoxyacetic acid has a molecular weight of 198.19 g/mol, XLogP of 1.91, 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-methylphenyl)-2-methoxyacetic acid is sourced from PubChem (CID 130877921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).