8-bromo-4-morpholin-4-yl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b]chromen-10-ol

C16H20BrNO4 — CID 66831633

IUPAC8-bromo-4-morpholin-4-yl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b]chromen-10-ol
SMILESOC1c2cc(Br)ccc2OC2C1COCC2N1CCOCC1
InChIInChI=1S/C16H20BrNO4/c17-10-1-2-14-11(7-10)15(19)12-8-21-9-13(16(12)22-14)18-3-5-20-6-4-18/h1-2,7,12-13,15-16,19H,3-6,8-9H2
InChIKeyNRUADDZETOWBRU-UHFFFAOYSA-N
MW370.24 g/mol
LogP1.59
Rot. Bonds1

About 8-bromo-4-morpholin-4-yl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b]chromen-10-ol

8-bromo-4-morpholin-4-yl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b]chromen-10-ol (PubChem CID 66831633) has the molecular formula C16H20BrNO4 and a molecular weight of 370.24 g/mol. Its IUPAC name is 8-bromo-4-morpholin-4-yl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b]chromen-10-ol.

Molecular Properties

Compound Name8-bromo-4-morpholin-4-yl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b]chromen-10-ol
PubChem CID66831633
Molecular FormulaC16H20BrNO4
Molecular Weight370.24 g/mol
Exact Mass369.06
IUPAC Name8-bromo-4-morpholin-4-yl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b]chromen-10-ol
SMILESOC1c2cc(Br)ccc2OC2C1COCC2N1CCOCC1
InChIInChI=1S/C16H20BrNO4/c17-10-1-2-14-11(7-10)15(19)12-8-21-9-13(16(12)22-14)18-3-5-20-6-4-18/h1-2,7,12-13,15-16,19H,3-6,8-9H2
InChIKeyNRUADDZETOWBRU-UHFFFAOYSA-N
XLogP1.59
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-morpholin-4-yl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b]chromen-10-ol?
The IUPAC name of 8-bromo-4-morpholin-4-yl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b]chromen-10-ol (CID 66831633) is 8-bromo-4-morpholin-4-yl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b]chromen-10-ol.
What is the SMILES notation for 8-bromo-4-morpholin-4-yl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b]chromen-10-ol?
The canonical SMILES for 8-bromo-4-morpholin-4-yl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b]chromen-10-ol is OC1c2cc(Br)ccc2OC2C1COCC2N1CCOCC1.
What is the InChIKey of 8-bromo-4-morpholin-4-yl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b]chromen-10-ol?
The InChIKey is NRUADDZETOWBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO4/c17-10-1-2-14-11(7-10)15(19)12-8-21-9-13(16(12)22-14)18-3-5-20-6-4-18/h1-2,7,12-13,15-16,19H,3-6,8-9H2.
What are the key properties of 8-bromo-4-morpholin-4-yl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b]chromen-10-ol?
8-bromo-4-morpholin-4-yl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b]chromen-10-ol has a molecular weight of 370.24 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-morpholin-4-yl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b]chromen-10-ol is sourced from PubChem (CID 66831633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).