5-[(2-fluorophenyl)methoxy]pentanoic acid

C12H15FO3 — CID 63934226

IUPAC5-[(2-fluorophenyl)methoxy]pentanoic acid
SMILESO=C(O)CCCCOCc1ccccc1F
InChIInChI=1S/C12H15FO3/c13-11-6-2-1-5-10(11)9-16-8-4-3-7-12(14)15/h1-2,5-6H,3-4,7-9H2,(H,14,15)
InChIKeyWXAOEOBPPLGFJS-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.60
Rot. Bonds7

About 5-[(2-fluorophenyl)methoxy]pentanoic acid

5-[(2-fluorophenyl)methoxy]pentanoic acid (PubChem CID 63934226) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methoxy]pentanoic acid.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methoxy]pentanoic acid
PubChem CID63934226
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name5-[(2-fluorophenyl)methoxy]pentanoic acid
SMILESO=C(O)CCCCOCc1ccccc1F
InChIInChI=1S/C12H15FO3/c13-11-6-2-1-5-10(11)9-16-8-4-3-7-12(14)15/h1-2,5-6H,3-4,7-9H2,(H,14,15)
InChIKeyWXAOEOBPPLGFJS-UHFFFAOYSA-N
XLogP2.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.60
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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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methoxy]pentanoic acid?
The IUPAC name of 5-[(2-fluorophenyl)methoxy]pentanoic acid (CID 63934226) is 5-[(2-fluorophenyl)methoxy]pentanoic acid.
What is the SMILES notation for 5-[(2-fluorophenyl)methoxy]pentanoic acid?
The canonical SMILES for 5-[(2-fluorophenyl)methoxy]pentanoic acid is O=C(O)CCCCOCc1ccccc1F.
What is the InChIKey of 5-[(2-fluorophenyl)methoxy]pentanoic acid?
The InChIKey is WXAOEOBPPLGFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO3/c13-11-6-2-1-5-10(11)9-16-8-4-3-7-12(14)15/h1-2,5-6H,3-4,7-9H2,(H,14,15).
What are the key properties of 5-[(2-fluorophenyl)methoxy]pentanoic acid?
5-[(2-fluorophenyl)methoxy]pentanoic acid has a molecular weight of 226.25 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methoxy]pentanoic acid is sourced from PubChem (CID 63934226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).