5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid

C15H17FO4 — CID 115297905

IUPAC5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid
SMILESO=C(O)c1cc(F)ccc1OC1CCOC2(CCC2)C1
InChIInChI=1S/C15H17FO4/c16-10-2-3-13(12(8-10)14(17)18)20-11-4-7-19-15(9-11)5-1-6-15/h2-3,8,11H,1,4-7,9H2,(H,17,18)
InChIKeyUYRJYTOLTADKTH-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.00
Rot. Bonds3

About 5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid

5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid (PubChem CID 115297905) has the molecular formula C15H17FO4 and a molecular weight of 280.30 g/mol. Its IUPAC name is 5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid
PubChem CID115297905
Molecular FormulaC15H17FO4
Molecular Weight280.30 g/mol
Exact Mass280.11
IUPAC Name5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid
SMILESO=C(O)c1cc(F)ccc1OC1CCOC2(CCC2)C1
InChIInChI=1S/C15H17FO4/c16-10-2-3-13(12(8-10)14(17)18)20-11-4-7-19-15(9-11)5-1-6-15/h2-3,8,11H,1,4-7,9H2,(H,17,18)
InChIKeyUYRJYTOLTADKTH-UHFFFAOYSA-N
XLogP3.00
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid
CID 79905392
8-(5-fluoro-2-methylphenoxy)-5-oxaspiro[3.5]nonane
CID 102990531
3-(5-oxaspiro[3.5]nonan-8-yloxy)pyridine-4-carboxylic acid
CID 81445391
3-[5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]prop-2-yn-1-ol
CID 79907882
1-[5-fluoro-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]-N-methylmethanamine
CID 107695140
2-amino-6-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid
CID 107341466
2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79904501
methyl 5-amino-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoate
CID 106955854
2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarbothioamide
CID 79905444
4-[2-(bromomethyl)-4-fluorophenoxy]-1,9-dioxaspiro[5.5]undecane
CID 107699038
(2,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79921615
4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-fluorobenzoic acid
CID 107690082

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid?
The IUPAC name of 5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid (CID 115297905) is 5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid.
What is the SMILES notation for 5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid?
The canonical SMILES for 5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid is O=C(O)c1cc(F)ccc1OC1CCOC2(CCC2)C1.
What is the InChIKey of 5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid?
The InChIKey is UYRJYTOLTADKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO4/c16-10-2-3-13(12(8-10)14(17)18)20-11-4-7-19-15(9-11)5-1-6-15/h2-3,8,11H,1,4-7,9H2,(H,17,18).
What are the key properties of 5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid?
5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid has a molecular weight of 280.30 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid is sourced from PubChem (CID 115297905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).