3-[2-(1-fluoroethyl)-4-methylphenyl]propanoic acid

C12H15FO2 — CID 166657511

IUPAC3-[2-(1-fluoroethyl)-4-methylphenyl]propanoic acid
SMILESCc1ccc(CCC(=O)O)c(C(C)F)c1
InChIInChI=1S/C12H15FO2/c1-8-3-4-10(5-6-12(14)15)11(7-8)9(2)13/h3-4,7,9H,5-6H2,1-2H3,(H,14,15)
InChIKeyBHCRCQKBVUQMHE-UHFFFAOYSA-N
MW210.25 g/mol
LogP3.04
Rot. Bonds4

About 3-[2-(1-fluoroethyl)-4-methylphenyl]propanoic acid

3-[2-(1-fluoroethyl)-4-methylphenyl]propanoic acid (PubChem CID 166657511) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-[2-(1-fluoroethyl)-4-methylphenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-(1-fluoroethyl)-4-methylphenyl]propanoic acid
PubChem CID166657511
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name3-[2-(1-fluoroethyl)-4-methylphenyl]propanoic acid
SMILESCc1ccc(CCC(=O)O)c(C(C)F)c1
InChIInChI=1S/C12H15FO2/c1-8-3-4-10(5-6-12(14)15)11(7-8)9(2)13/h3-4,7,9H,5-6H2,1-2H3,(H,14,15)
InChIKeyBHCRCQKBVUQMHE-UHFFFAOYSA-N
XLogP3.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[2-(1-fluoroethyl)-4-methylphenyl]propanoic 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

3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
3-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]propanoic acid
CID 117393988
3-(2-fluoro-5-methylphenyl)propanoic acid
CID 46737563
2-(2-carboxyethyl)-5-methylbenzoic acid
CID 82158434
3-(2-amino-5-methylphenyl)propanoic acid
CID 83852984
3-[2-(carboxymethyl)-4-(difluoromethyl)phenyl]propanoic acid
CID 118808140
4-(2-fluoro-5-methylphenyl)butanoic acid
CID 83698985
3-[5-methyl-2-(methylamino)phenyl]propanoic acid
CID 20546910
dihydroxy(oxo)phosphanium;3-(2,5-dimethylphenyl)propanoic acid
CID 174848478
2-[2-(2-carboxyethyl)phenyl]propanoic acid
CID 18790695
3-[2-[carboxy(hydroxy)methyl]-4-fluorophenyl]propanoic acid
CID 118841930
3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid
CID 82525236

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-fluoroethyl)-4-methylphenyl]propanoic acid?
The IUPAC name of 3-[2-(1-fluoroethyl)-4-methylphenyl]propanoic acid (CID 166657511) is 3-[2-(1-fluoroethyl)-4-methylphenyl]propanoic acid.
What is the SMILES notation for 3-[2-(1-fluoroethyl)-4-methylphenyl]propanoic acid?
The canonical SMILES for 3-[2-(1-fluoroethyl)-4-methylphenyl]propanoic acid is Cc1ccc(CCC(=O)O)c(C(C)F)c1.
What is the InChIKey of 3-[2-(1-fluoroethyl)-4-methylphenyl]propanoic acid?
The InChIKey is BHCRCQKBVUQMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-8-3-4-10(5-6-12(14)15)11(7-8)9(2)13/h3-4,7,9H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 3-[2-(1-fluoroethyl)-4-methylphenyl]propanoic acid?
3-[2-(1-fluoroethyl)-4-methylphenyl]propanoic acid has a molecular weight of 210.25 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-fluoroethyl)-4-methylphenyl]propanoic acid is sourced from PubChem (CID 166657511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).