4-(3-fluoro-4-methoxyphenoxy)butanoic acid

C11H13FO4 — CID 14661621

IUPAC4-(3-fluoro-4-methoxyphenoxy)butanoic acid
SMILESCOc1ccc(OCCCC(=O)O)cc1F
InChIInChI=1S/C11H13FO4/c1-15-10-5-4-8(7-9(10)12)16-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChIKeyWQWFRZJYNKMOCN-UHFFFAOYSA-N
MW228.22 g/mol
LogP2.08
Rot. Bonds6

About 4-(3-fluoro-4-methoxyphenoxy)butanoic acid

4-(3-fluoro-4-methoxyphenoxy)butanoic acid (PubChem CID 14661621) has the molecular formula C11H13FO4 and a molecular weight of 228.22 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenoxy)butanoic acid.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenoxy)butanoic acid
PubChem CID14661621
Molecular FormulaC11H13FO4
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Name4-(3-fluoro-4-methoxyphenoxy)butanoic acid
SMILESCOc1ccc(OCCCC(=O)O)cc1F
InChIInChI=1S/C11H13FO4/c1-15-10-5-4-8(7-9(10)12)16-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChIKeyWQWFRZJYNKMOCN-UHFFFAOYSA-N
XLogP2.08
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-formyl-3-methoxyphenoxy)butanoic acid
CID 2759226
(3-fluoro-4-methoxyphenoxy)methanol
CID 89257829
4-tert-butylaniline;4-tert-butyl-2-fluoro-1-methoxybenzene;ethane;4-(4-propan-2-ylphenoxy)butanoic acid
CID 143059972
4-(3,4,5-trimethoxyphenoxy)butanoic acid
CID 11219431
3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107168344
4-(3,5-dimethoxyphenoxy)butanoic acid
CID 43351586
4-(2-amino-4-methoxyphenoxy)butanoic acid
CID 123796019
4-[3-bromo-4-(trifluoromethoxy)phenoxy]butanoic acid
CID 102714204
6-[4-(hydroxymethyl)-3-methoxyphenoxy]hexanoic acid
CID 67259239
4-[4-(aminomethyl)-3,5-dimethoxyphenoxy]butanoic acid
CID 68627883
4-[2-methoxy-5-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutoxy]phenyl]butanoic acid
CID 168842386
5-(4-cyano-3-methoxyphenoxy)pentanoic acid
CID 123565317

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyphenoxy)butanoic acid?
The IUPAC name of 4-(3-fluoro-4-methoxyphenoxy)butanoic acid (CID 14661621) is 4-(3-fluoro-4-methoxyphenoxy)butanoic acid.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenoxy)butanoic acid?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenoxy)butanoic acid is COc1ccc(OCCCC(=O)O)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenoxy)butanoic acid?
The InChIKey is WQWFRZJYNKMOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO4/c1-15-10-5-4-8(7-9(10)12)16-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14).
What are the key properties of 4-(3-fluoro-4-methoxyphenoxy)butanoic acid?
4-(3-fluoro-4-methoxyphenoxy)butanoic acid has a molecular weight of 228.22 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyphenoxy)butanoic acid is sourced from PubChem (CID 14661621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).