2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoic acid

C14H19FO5 — CID 106698537

IUPAC2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoic acid
SMILESCOCCCOCCOCc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C14H19FO5/c1-18-5-2-6-19-7-8-20-10-11-3-4-12(14(16)17)13(15)9-11/h3-4,9H,2,5-8,10H2,1H3,(H,16,17)
InChIKeyJVRWSDHZTBVGOM-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.09
Rot. Bonds10

About 2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoic acid

2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoic acid (PubChem CID 106698537) has the molecular formula C14H19FO5 and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoic acid
PubChem CID106698537
Molecular FormulaC14H19FO5
Molecular Weight286.30 g/mol
Exact Mass286.12
IUPAC Name2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoic acid
SMILESCOCCCOCCOCc1ccc(C(=O)O)c(F)c1
InChIInChI=1S/C14H19FO5/c1-18-5-2-6-19-7-8-20-10-11-3-4-12(14(16)17)13(15)9-11/h3-4,9H,2,5-8,10H2,1H3,(H,16,17)
InChIKeyJVRWSDHZTBVGOM-UHFFFAOYSA-N
XLogP2.09
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoate
CID 106698538
2-methoxy-4-[3-(2-methoxyethoxy)propoxymethyl]benzoic acid
CID 106794181
2-fluoro-4-(pentoxymethyl)benzoic acid
CID 106698387
2-fluoro-4-(propoxymethyl)benzoic acid
CID 18913749
methyl 2-fluoro-4-(heptoxymethyl)benzoate
CID 106698328
2-fluoro-5-(heptoxymethyl)benzoic acid
CID 114012263
methyl 2-fluoro-4-(4-methylpentoxymethyl)benzoate
CID 106698337
4-(aminooxymethyl)-2-fluorobenzoic acid
CID 106698513
2-amino-4-fluoro-5-[3-(2-methoxyethoxy)propoxy]benzoic acid
CID 103403914
2-fluoro-4-(propan-2-yloxymethyl)benzoic acid
CID 106698299
2-fluoro-5-(4,4,4-trifluorobutoxymethyl)benzoic acid
CID 107881260
4-(cyclohexylmethoxymethyl)-2-fluorobenzoic acid
CID 106698414

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoic acid?
The IUPAC name of 2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoic acid (CID 106698537) is 2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoic acid?
The canonical SMILES for 2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoic acid is COCCCOCCOCc1ccc(C(=O)O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoic acid?
The InChIKey is JVRWSDHZTBVGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO5/c1-18-5-2-6-19-7-8-20-10-11-3-4-12(14(16)17)13(15)9-11/h3-4,9H,2,5-8,10H2,1H3,(H,16,17).
What are the key properties of 2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoic acid?
2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoic acid has a molecular weight of 286.30 g/mol, XLogP of 2.09, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-(3-methoxypropoxy)ethoxymethyl]benzoic acid is sourced from PubChem (CID 106698537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).