(2-fluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone

C15H17FO2 — CID 171944974

IUPAC(2-fluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESCc1ccc(F)c(C(=O)C2CC3CCC(C2)O3)c1
InChIInChI=1S/C15H17FO2/c1-9-2-5-14(16)13(6-9)15(17)10-7-11-3-4-12(8-10)18-11/h2,5-6,10-12H,3-4,7-8H2,1H3
InChIKeyODGDAGXKVRNEKW-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.27
Rot. Bonds2

About (2-fluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone

(2-fluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171944974) has the molecular formula C15H17FO2 and a molecular weight of 248.30 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171944974
Molecular FormulaC15H17FO2
Molecular Weight248.30 g/mol
Exact Mass248.12
IUPAC Name(2-fluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESCc1ccc(F)c(C(=O)C2CC3CCC(C2)O3)c1
InChIInChI=1S/C15H17FO2/c1-9-2-5-14(16)13(6-9)15(17)10-7-11-3-4-12(8-10)18-11/h2,5-6,10-12H,3-4,7-8H2,1H3
InChIKeyODGDAGXKVRNEKW-UHFFFAOYSA-N
XLogP3.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluoro-5-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947407
(2,4-difluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947649
(2-fluorophenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171950940
(2-fluoro-5-methylphenyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171944984
(5-fluoro-2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947307
azetidin-3-yl-(2-fluoro-5-methylphenyl)methanone
CID 116583692
(4-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171950826
(2-fluoro-5-methylphenyl)-(3-methylsulfonylcyclohexyl)methanone
CID 115786050
8-azabicyclo[3.2.1]octan-3-yl-(2-fluoro-4-methylphenyl)methanone
CID 171944944
(2-fluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787788
(2-fluoro-5-methylphenyl)-(2-methyloxolan-3-yl)methanone
CID 114970867
cycloheptyl-(2-fluoro-4-methylphenyl)methanone
CID 115794872

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (2-fluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (CID 171944974) is (2-fluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (2-fluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is Cc1ccc(F)c(C(=O)C2CC3CCC(C2)O3)c1.
What is the InChIKey of (2-fluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is ODGDAGXKVRNEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO2/c1-9-2-5-14(16)13(6-9)15(17)10-7-11-3-4-12(8-10)18-11/h2,5-6,10-12H,3-4,7-8H2,1H3.
What are the key properties of (2-fluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
(2-fluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 248.30 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171944974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).