4-(2-fluoro-5-propan-2-ylphenoxy)butanoic acid

C13H17FO3 — CID 59134643

IUPAC4-(2-fluoro-5-propan-2-ylphenoxy)butanoic acid
SMILESCC(C)c1ccc(F)c(OCCCC(=O)O)c1
InChIInChI=1S/C13H17FO3/c1-9(2)10-5-6-11(14)12(8-10)17-7-3-4-13(15)16/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyGUDCQCWYZLGTQH-UHFFFAOYSA-N
MW240.27 g/mol
LogP3.19
Rot. Bonds6

About 4-(2-fluoro-5-propan-2-ylphenoxy)butanoic acid

4-(2-fluoro-5-propan-2-ylphenoxy)butanoic acid (PubChem CID 59134643) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-(2-fluoro-5-propan-2-ylphenoxy)butanoic acid.

Molecular Properties

Compound Name4-(2-fluoro-5-propan-2-ylphenoxy)butanoic acid
PubChem CID59134643
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Name4-(2-fluoro-5-propan-2-ylphenoxy)butanoic acid
SMILESCC(C)c1ccc(F)c(OCCCC(=O)O)c1
InChIInChI=1S/C13H17FO3/c1-9(2)10-5-6-11(14)12(8-10)17-7-3-4-13(15)16/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyGUDCQCWYZLGTQH-UHFFFAOYSA-N
XLogP3.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-fluoro-5-propan-2-ylphenoxy)pentanoic acid
CID 59134726
methyl 6-(2-fluoro-5-propan-2-ylphenoxy)hexanoate
CID 59134665
ethyl 2-(2-fluoro-5-propan-2-ylphenoxy)acetate
CID 137495372
(2-fluoro-5-propan-2-ylphenyl) carbamate
CID 175535945
(1S)-1-(4-fluoro-3-propoxyphenyl)ethanol
CID 97294393
2-[2-(carboxymethoxy)-4-propan-2-ylphenoxy]acetic acid
CID 20697686
3-[5-chloro-2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]propanoic acid
CID 20989531
5-(3,4-difluorophenyl)-6-methylheptanoic acid
CID 112512690
2-(5-propan-2-yl-2-propoxyphenyl)acetic acid
CID 82054018
4-tert-butylaniline;4-tert-butyl-2-fluoro-1-methoxybenzene;ethane;4-(4-propan-2-ylphenoxy)butanoic acid
CID 143059972
3-(4-propan-2-ylphenoxy)propanoic acid
CID 16777434
4-(2-hydroxy-5-propan-2-ylphenyl)butanoic acid
CID 83890595

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-propan-2-ylphenoxy)butanoic acid?
The IUPAC name of 4-(2-fluoro-5-propan-2-ylphenoxy)butanoic acid (CID 59134643) is 4-(2-fluoro-5-propan-2-ylphenoxy)butanoic acid.
What is the SMILES notation for 4-(2-fluoro-5-propan-2-ylphenoxy)butanoic acid?
The canonical SMILES for 4-(2-fluoro-5-propan-2-ylphenoxy)butanoic acid is CC(C)c1ccc(F)c(OCCCC(=O)O)c1.
What is the InChIKey of 4-(2-fluoro-5-propan-2-ylphenoxy)butanoic acid?
The InChIKey is GUDCQCWYZLGTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO3/c1-9(2)10-5-6-11(14)12(8-10)17-7-3-4-13(15)16/h5-6,8-9H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of 4-(2-fluoro-5-propan-2-ylphenoxy)butanoic acid?
4-(2-fluoro-5-propan-2-ylphenoxy)butanoic acid has a molecular weight of 240.27 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-propan-2-ylphenoxy)butanoic acid is sourced from PubChem (CID 59134643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).