2-(2-fluoro-5-propan-2-ylphenyl)propanoic acid

C12H15FO2 — CID 117300317

IUPAC2-(2-fluoro-5-propan-2-ylphenyl)propanoic acid
SMILESCC(C)c1ccc(F)c(C(C)C(=O)O)c1
InChIInChI=1S/C12H15FO2/c1-7(2)9-4-5-11(13)10(6-9)8(3)12(14)15/h4-8H,1-3H3,(H,14,15)
InChIKeyUBQSYQZADGLTSO-UHFFFAOYSA-N
MW210.25 g/mol
LogP3.14
Rot. Bonds3

About 2-(2-fluoro-5-propan-2-ylphenyl)propanoic acid

2-(2-fluoro-5-propan-2-ylphenyl)propanoic acid (PubChem CID 117300317) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-(2-fluoro-5-propan-2-ylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-fluoro-5-propan-2-ylphenyl)propanoic acid
PubChem CID117300317
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name2-(2-fluoro-5-propan-2-ylphenyl)propanoic acid
SMILESCC(C)c1ccc(F)c(C(C)C(=O)O)c1
InChIInChI=1S/C12H15FO2/c1-7(2)9-4-5-11(13)10(6-9)8(3)12(14)15/h4-8H,1-3H3,(H,14,15)
InChIKeyUBQSYQZADGLTSO-UHFFFAOYSA-N
XLogP3.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(2,5-difluorophenyl)propanoic acid
CID 93182242
2-(2-ethyl-5-propan-2-ylphenyl)propanoic acid
CID 117314723
2-(2-methyl-4-propan-2-ylphenyl)propanoic acid
CID 175234713
2-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)propanoic acid
CID 117353320
2-(2-fluoro-5-nitrophenyl)propanoic acid
CID 13388010
2-[5-(difluoromethyl)-2-methylphenyl]propanoic acid
CID 117305155
ethyl 2-(2-fluoro-5-propan-2-ylphenyl)-2-hydroxyacetate
CID 117353289
2-(2,5-difluoro-4-hydroxyphenyl)propanoic acid
CID 117290622
2-[2,5-di(propan-2-yl)phenyl]-2-hydroxyacetic acid
CID 117345122
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
(2R)-2-(4-fluorophenyl)propanoic acid
CID 7005040
3-[5-(difluoromethyl)-2-fluorophenyl]butanoic acid
CID 84695361

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-propan-2-ylphenyl)propanoic acid?
The IUPAC name of 2-(2-fluoro-5-propan-2-ylphenyl)propanoic acid (CID 117300317) is 2-(2-fluoro-5-propan-2-ylphenyl)propanoic acid.
What is the SMILES notation for 2-(2-fluoro-5-propan-2-ylphenyl)propanoic acid?
The canonical SMILES for 2-(2-fluoro-5-propan-2-ylphenyl)propanoic acid is CC(C)c1ccc(F)c(C(C)C(=O)O)c1.
What is the InChIKey of 2-(2-fluoro-5-propan-2-ylphenyl)propanoic acid?
The InChIKey is UBQSYQZADGLTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-7(2)9-4-5-11(13)10(6-9)8(3)12(14)15/h4-8H,1-3H3,(H,14,15).
What are the key properties of 2-(2-fluoro-5-propan-2-ylphenyl)propanoic acid?
2-(2-fluoro-5-propan-2-ylphenyl)propanoic acid has a molecular weight of 210.25 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-propan-2-ylphenyl)propanoic acid is sourced from PubChem (CID 117300317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).