(4-methoxy-3,5-dimethylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone

C17H22O3 — CID 171940676

IUPAC(4-methoxy-3,5-dimethylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESCOc1c(C)cc(C(=O)C2CC3CCC(C2)O3)cc1C
InChIInChI=1S/C17H22O3/c1-10-6-12(7-11(2)17(10)19-3)16(18)13-8-14-4-5-15(9-13)20-14/h6-7,13-15H,4-5,8-9H2,1-3H3
InChIKeyXGWFYEJBDFXDIF-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.45
Rot. Bonds3

About (4-methoxy-3,5-dimethylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone

(4-methoxy-3,5-dimethylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171940676) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is (4-methoxy-3,5-dimethylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(4-methoxy-3,5-dimethylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171940676
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name(4-methoxy-3,5-dimethylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESCOc1c(C)cc(C(=O)C2CC3CCC(C2)O3)cc1C
InChIInChI=1S/C17H22O3/c1-10-6-12(7-11(2)17(10)19-3)16(18)13-8-14-4-5-15(9-13)20-14/h6-7,13-15H,4-5,8-9H2,1-3H3
InChIKeyXGWFYEJBDFXDIF-UHFFFAOYSA-N
XLogP3.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-methoxy-3,5-dimethylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone with MolForge

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Related Compounds

(4-methoxy-3,5-dimethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171940671
(2,6-dimethyl-4-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171943649
(4-aminocyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 116917563
(4-methoxy-2-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947158
(4-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171950826
[3-methyl-4-(trifluoromethyl)phenyl]-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171949890
(5-methyl-3-pyridinyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171950409
[(3R)-1-cyclopentylpiperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 25279925
(2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171944243
(2,4-difluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947649
8-oxabicyclo[3.2.1]octan-3-yl(1,2-oxazol-4-yl)methanone
CID 171938724
(5-fluoro-2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947307

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3,5-dimethylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (4-methoxy-3,5-dimethylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (CID 171940676) is (4-methoxy-3,5-dimethylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (4-methoxy-3,5-dimethylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (4-methoxy-3,5-dimethylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is COc1c(C)cc(C(=O)C2CC3CCC(C2)O3)cc1C.
What is the InChIKey of (4-methoxy-3,5-dimethylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is XGWFYEJBDFXDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c1-10-6-12(7-11(2)17(10)19-3)16(18)13-8-14-4-5-15(9-13)20-14/h6-7,13-15H,4-5,8-9H2,1-3H3.
What are the key properties of (4-methoxy-3,5-dimethylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
(4-methoxy-3,5-dimethylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 274.36 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3,5-dimethylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171940676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).