3-(2-fluoro-5-methylphenyl)propanoic acid

C10H11FO2 — CID 46737563

IUPAC3-(2-fluoro-5-methylphenyl)propanoic acid
SMILESCc1ccc(F)c(CCC(=O)O)c1
InChIInChI=1S/C10H11FO2/c1-7-2-4-9(11)8(6-7)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)
InChIKeyRCVAROWDHLHAAC-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.15
Rot. Bonds3

About 3-(2-fluoro-5-methylphenyl)propanoic acid

3-(2-fluoro-5-methylphenyl)propanoic acid (PubChem CID 46737563) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 3-(2-fluoro-5-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-fluoro-5-methylphenyl)propanoic acid
PubChem CID46737563
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name3-(2-fluoro-5-methylphenyl)propanoic acid
SMILESCc1ccc(F)c(CCC(=O)O)c1
InChIInChI=1S/C10H11FO2/c1-7-2-4-9(11)8(6-7)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)
InChIKeyRCVAROWDHLHAAC-UHFFFAOYSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-fluoro-5-methylphenyl)butanoic acid
CID 83698985
3-[(2-fluoro-5-methylphenyl)methyl-methylamino]propanoic acid
CID 106835027
3-(2-amino-5-methylphenyl)propanoic acid
CID 83852984
3-(2-fluoro-5-methoxyphenyl)propanoic acid
CID 83402634
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
4-[(2-fluoro-5-methylphenyl)methyl-methylamino]butanoic acid
CID 106835028
dihydroxy(oxo)phosphanium;3-(2,5-dimethylphenyl)propanoic acid
CID 174848478
3-[5-methyl-2-(methylamino)phenyl]propanoic acid
CID 20546910
3-[(2-fluoro-5-methylphenyl)methyl-propan-2-ylamino]propanoic acid
CID 114055340
2-(2-carboxyethyl)-5-methylbenzoic acid
CID 82158434
3-[2-(1-fluoroethyl)-4-methylphenyl]propanoic acid
CID 166657511
3-(2-fluorophenyl)propanoic acid
CID 2063866

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-methylphenyl)propanoic acid?
The IUPAC name of 3-(2-fluoro-5-methylphenyl)propanoic acid (CID 46737563) is 3-(2-fluoro-5-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(2-fluoro-5-methylphenyl)propanoic acid?
The canonical SMILES for 3-(2-fluoro-5-methylphenyl)propanoic acid is Cc1ccc(F)c(CCC(=O)O)c1.
What is the InChIKey of 3-(2-fluoro-5-methylphenyl)propanoic acid?
The InChIKey is RCVAROWDHLHAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-7-2-4-9(11)8(6-7)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13).
What are the key properties of 3-(2-fluoro-5-methylphenyl)propanoic acid?
3-(2-fluoro-5-methylphenyl)propanoic acid has a molecular weight of 182.19 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-methylphenyl)propanoic acid is sourced from PubChem (CID 46737563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).