8-methoxy-4-morpholin-4-yl-2,3,4,4a,10,10a-hexahydropyrano[3,2-b]chromen-10-ol

C17H23NO5 — CID 66831592

IUPAC8-methoxy-4-morpholin-4-yl-2,3,4,4a,10,10a-hexahydropyrano[3,2-b]chromen-10-ol
SMILESCOc1ccc2c(c1)C(O)C1OCCC(N3CCOCC3)C1O2
InChIInChI=1S/C17H23NO5/c1-20-11-2-3-14-12(10-11)15(19)17-16(23-14)13(4-7-22-17)18-5-8-21-9-6-18/h2-3,10,13,15-17,19H,4-9H2,1H3
InChIKeyZZBGLULNESMWJT-UHFFFAOYSA-N
MW321.37 g/mol
LogP0.98
Rot. Bonds2

About 8-methoxy-4-morpholin-4-yl-2,3,4,4a,10,10a-hexahydropyrano[3,2-b]chromen-10-ol

8-methoxy-4-morpholin-4-yl-2,3,4,4a,10,10a-hexahydropyrano[3,2-b]chromen-10-ol (PubChem CID 66831592) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is 8-methoxy-4-morpholin-4-yl-2,3,4,4a,10,10a-hexahydropyrano[3,2-b]chromen-10-ol.

Molecular Properties

Compound Name8-methoxy-4-morpholin-4-yl-2,3,4,4a,10,10a-hexahydropyrano[3,2-b]chromen-10-ol
PubChem CID66831592
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name8-methoxy-4-morpholin-4-yl-2,3,4,4a,10,10a-hexahydropyrano[3,2-b]chromen-10-ol
SMILESCOc1ccc2c(c1)C(O)C1OCCC(N3CCOCC3)C1O2
InChIInChI=1S/C17H23NO5/c1-20-11-2-3-14-12(10-11)15(19)17-16(23-14)13(4-7-22-17)18-5-8-21-9-6-18/h2-3,10,13,15-17,19H,4-9H2,1H3
InChIKeyZZBGLULNESMWJT-UHFFFAOYSA-N
XLogP0.98
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-morpholin-4-yl-2,3,4,4a,10,10a-hexahydropyrano[3,2-b]chromen-10-ol?
The IUPAC name of 8-methoxy-4-morpholin-4-yl-2,3,4,4a,10,10a-hexahydropyrano[3,2-b]chromen-10-ol (CID 66831592) is 8-methoxy-4-morpholin-4-yl-2,3,4,4a,10,10a-hexahydropyrano[3,2-b]chromen-10-ol.
What is the SMILES notation for 8-methoxy-4-morpholin-4-yl-2,3,4,4a,10,10a-hexahydropyrano[3,2-b]chromen-10-ol?
The canonical SMILES for 8-methoxy-4-morpholin-4-yl-2,3,4,4a,10,10a-hexahydropyrano[3,2-b]chromen-10-ol is COc1ccc2c(c1)C(O)C1OCCC(N3CCOCC3)C1O2.
What is the InChIKey of 8-methoxy-4-morpholin-4-yl-2,3,4,4a,10,10a-hexahydropyrano[3,2-b]chromen-10-ol?
The InChIKey is ZZBGLULNESMWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5/c1-20-11-2-3-14-12(10-11)15(19)17-16(23-14)13(4-7-22-17)18-5-8-21-9-6-18/h2-3,10,13,15-17,19H,4-9H2,1H3.
What are the key properties of 8-methoxy-4-morpholin-4-yl-2,3,4,4a,10,10a-hexahydropyrano[3,2-b]chromen-10-ol?
8-methoxy-4-morpholin-4-yl-2,3,4,4a,10,10a-hexahydropyrano[3,2-b]chromen-10-ol has a molecular weight of 321.37 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-morpholin-4-yl-2,3,4,4a,10,10a-hexahydropyrano[3,2-b]chromen-10-ol is sourced from PubChem (CID 66831592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).