6-[(4-methoxyphenyl)methoxy]-8-morpholin-4-yl-2-oxabicyclo[3.2.1]octan-3-one

C19H25NO5 — CID 12786304

IUPAC6-[(4-methoxyphenyl)methoxy]-8-morpholin-4-yl-2-oxabicyclo[3.2.1]octan-3-one
SMILESCOc1ccc(COC2CC3OC(=O)CC2C3N2CCOCC2)cc1
InChIInChI=1S/C19H25NO5/c1-22-14-4-2-13(3-5-14)12-24-16-11-17-19(15(16)10-18(21)25-17)20-6-8-23-9-7-20/h2-5,15-17,19H,6-12H2,1H3
InChIKeyAAAQNCZACMCKFC-UHFFFAOYSA-N
MW347.41 g/mol
LogP1.62
Rot. Bonds5

About 6-[(4-methoxyphenyl)methoxy]-8-morpholin-4-yl-2-oxabicyclo[3.2.1]octan-3-one

6-[(4-methoxyphenyl)methoxy]-8-morpholin-4-yl-2-oxabicyclo[3.2.1]octan-3-one (PubChem CID 12786304) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methoxy]-8-morpholin-4-yl-2-oxabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methoxy]-8-morpholin-4-yl-2-oxabicyclo[3.2.1]octan-3-one
PubChem CID12786304
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Name6-[(4-methoxyphenyl)methoxy]-8-morpholin-4-yl-2-oxabicyclo[3.2.1]octan-3-one
SMILESCOc1ccc(COC2CC3OC(=O)CC2C3N2CCOCC2)cc1
InChIInChI=1S/C19H25NO5/c1-22-14-4-2-13(3-5-14)12-24-16-11-17-19(15(16)10-18(21)25-17)20-6-8-23-9-7-20/h2-5,15-17,19H,6-12H2,1H3
InChIKeyAAAQNCZACMCKFC-UHFFFAOYSA-N
XLogP1.62
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(4-methoxyphenyl)methoxy]-8-morpholin-4-yl-2-oxabicyclo[3.2.1]octan-3-one with MolForge

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Related Compounds

(1S,5S,6R)-8-morpholin-4-yl-6-[(4-thiophen-2-ylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one
CID 70579848
6-[(4-phenylphenyl)methoxy]-8-piperidin-1-yl-2-oxabicyclo[3.2.1]octan-3-one
CID 12786307
5-[(4-bromophenyl)methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one
CID 12941353
(Z)-7-[(1R,2R,3R,5S)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-2-morpholin-4-ylcyclopentyl]hept-4-enoic acid
CID 70548536
acetaldehyde;(1S,2S,4S)-4-[(4-methoxyphenyl)methoxy]-2-morpholin-4-ylcyclopentan-1-ol
CID 88753284
5-[[4-(benzenesulfonyl)phenyl]methoxy]-7-morpholin-4-ylbicyclo[2.2.1]heptan-2-one
CID 12941355
(3aS,4R,5R,6aR)-5-hydroxy-4-morpholin-4-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 22815895
(3aS,4R,5R,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-morpholin-4-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 22815893
5-phenylmethoxy-4-(phenylmethoxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 14002041
(4S,5R,6S)-6-[(2R)-but-3-en-2-yl]-4-[(4-methoxyphenyl)methoxy]-5-methyloxan-2-one
CID 11738257
(1S,4S,5R)-5-[(4-methoxyphenyl)methoxy]bicyclo[2.2.1]heptan-2-one
CID 11481987
(4S,8S)-4-[(4-methoxyphenyl)methoxy]-8-methyloxocan-2-one
CID 11097870

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methoxy]-8-morpholin-4-yl-2-oxabicyclo[3.2.1]octan-3-one?
The IUPAC name of 6-[(4-methoxyphenyl)methoxy]-8-morpholin-4-yl-2-oxabicyclo[3.2.1]octan-3-one (CID 12786304) is 6-[(4-methoxyphenyl)methoxy]-8-morpholin-4-yl-2-oxabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 6-[(4-methoxyphenyl)methoxy]-8-morpholin-4-yl-2-oxabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 6-[(4-methoxyphenyl)methoxy]-8-morpholin-4-yl-2-oxabicyclo[3.2.1]octan-3-one is COc1ccc(COC2CC3OC(=O)CC2C3N2CCOCC2)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methoxy]-8-morpholin-4-yl-2-oxabicyclo[3.2.1]octan-3-one?
The InChIKey is AAAQNCZACMCKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5/c1-22-14-4-2-13(3-5-14)12-24-16-11-17-19(15(16)10-18(21)25-17)20-6-8-23-9-7-20/h2-5,15-17,19H,6-12H2,1H3.
What are the key properties of 6-[(4-methoxyphenyl)methoxy]-8-morpholin-4-yl-2-oxabicyclo[3.2.1]octan-3-one?
6-[(4-methoxyphenyl)methoxy]-8-morpholin-4-yl-2-oxabicyclo[3.2.1]octan-3-one has a molecular weight of 347.41 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methoxy]-8-morpholin-4-yl-2-oxabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 12786304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).