(5aR,9aS)-5a-morpholin-4-ium-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol

C16H22NO3+ — CID 6954366

IUPAC(5aR,9aS)-5a-morpholin-4-ium-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol
SMILESOc1ccc2c(c1)[C@@H]1CCCC[C@@]1([NH+]1CCOCC1)O2
InChIInChI=1S/C16H21NO3/c18-12-4-5-15-13(11-12)14-3-1-2-6-16(14,20-15)17-7-9-19-10-8-17/h4-5,11,14,18H,1-3,6-10H2/p+1/t14-,16+/m0/s1
InChIKeyCIRSWPZIDFTMED-GOEBONIOSA-O
MW276.36 g/mol
LogP1.05
Rot. Bonds1

About (5aR,9aS)-5a-morpholin-4-ium-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol

(5aR,9aS)-5a-morpholin-4-ium-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol (PubChem CID 6954366) has the molecular formula C16H22NO3+ and a molecular weight of 276.36 g/mol. Its IUPAC name is (5aR,9aS)-5a-morpholin-4-ium-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol.

Molecular Properties

Compound Name(5aR,9aS)-5a-morpholin-4-ium-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol
PubChem CID6954366
Molecular FormulaC16H22NO3+
Molecular Weight276.36 g/mol
Exact Mass276.16
IUPAC Name(5aR,9aS)-5a-morpholin-4-ium-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol
SMILESOc1ccc2c(c1)[C@@H]1CCCC[C@@]1([NH+]1CCOCC1)O2
InChIInChI=1S/C16H21NO3/c18-12-4-5-15-13(11-12)14-3-1-2-6-16(14,20-15)17-7-9-19-10-8-17/h4-5,11,14,18H,1-3,6-10H2/p+1/t14-,16+/m0/s1
InChIKeyCIRSWPZIDFTMED-GOEBONIOSA-O
XLogP1.05
TPSA43.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5aR,9aS)-5a-morpholin-4-ium-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol with MolForge

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Related Compounds

(5aS,10aS)-5a-morpholin-4-yl-6,7,8,9,10,10a-hexahydrocyclohepta[b][1]benzofuran-2-ol
CID 95561849
(4bR,8aS)-6,7,8,8a-tetrahydro-5H-biphenylene-2,4b-diol
CID 131886728
(4bR,8aR)-8a-morpholin-4-yl-4b,5,6,7,8,9-hexahydrocarbazol-3-ol
CID 930010
(4R)-2,2-dimethyl-3,4-dihydrochromene-4,6-diol
CID 162926407
2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-diol
CID 13273773
3-methoxy-5a-morpholin-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol
CID 627722
4-[(4aR,9S,9aS)-5-methoxy-9-(nitromethyl)-1,2,3,4,9,9a-hexahydroxanthen-4a-yl]morpholin-4-ium
CID 11889247
4-[(dimethylamino)methyl]-3,4-dihydro-2H-chromen-6-ol
CID 105460519
(6aS,10aR)-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-2-ol
CID 10377167
4-amino-3-(oxan-4-yl)phenol
CID 117104375
2-(oxan-4-yl)-3,4-dihydro-2H-chromene-4,6-diol
CID 142380263
4-(ethylamino)-3,4-dihydro-2H-chromen-6-ol
CID 105447097

Frequently Asked Questions

What is the IUPAC name of (5aR,9aS)-5a-morpholin-4-ium-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol?
The IUPAC name of (5aR,9aS)-5a-morpholin-4-ium-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol (CID 6954366) is (5aR,9aS)-5a-morpholin-4-ium-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol.
What is the SMILES notation for (5aR,9aS)-5a-morpholin-4-ium-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol?
The canonical SMILES for (5aR,9aS)-5a-morpholin-4-ium-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol is Oc1ccc2c(c1)[C@@H]1CCCC[C@@]1([NH+]1CCOCC1)O2.
What is the InChIKey of (5aR,9aS)-5a-morpholin-4-ium-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol?
The InChIKey is CIRSWPZIDFTMED-GOEBONIOSA-O. The full InChI is InChI=1S/C16H21NO3/c18-12-4-5-15-13(11-12)14-3-1-2-6-16(14,20-15)17-7-9-19-10-8-17/h4-5,11,14,18H,1-3,6-10H2/p+1/t14-,16+/m0/s1.
What are the key properties of (5aR,9aS)-5a-morpholin-4-ium-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol?
(5aR,9aS)-5a-morpholin-4-ium-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol has a molecular weight of 276.36 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5aR,9aS)-5a-morpholin-4-ium-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol is sourced from PubChem (CID 6954366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).