4-[(4aR)-5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl]morpholin-4-ium

C17H20Cl2NO2+ — CID 6941691

IUPAC4-[(4aR)-5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl]morpholin-4-ium
SMILESClc1cc(Cl)c2c(c1)C=C1CCCC[C@@]1([NH+]1CCOCC1)O2
InChIInChI=1S/C17H19Cl2NO2/c18-14-10-12-9-13-3-1-2-4-17(13,20-5-7-21-8-6-20)22-16(12)15(19)11-14/h9-11H,1-8H2/p+1/t17-/m1/s1
InChIKeyCOSRWYZDVXYLOJ-QGZVFWFLSA-O
MW341.26 g/mol
LogP2.95
Rot. Bonds1

About 4-[(4aR)-5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl]morpholin-4-ium

4-[(4aR)-5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl]morpholin-4-ium (PubChem CID 6941691) has the molecular formula C17H20Cl2NO2+ and a molecular weight of 341.26 g/mol. Its IUPAC name is 4-[(4aR)-5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl]morpholin-4-ium.

Molecular Properties

Compound Name4-[(4aR)-5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl]morpholin-4-ium
PubChem CID6941691
Molecular FormulaC17H20Cl2NO2+
Molecular Weight341.26 g/mol
Exact Mass340.09
IUPAC Name4-[(4aR)-5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl]morpholin-4-ium
SMILESClc1cc(Cl)c2c(c1)C=C1CCCC[C@@]1([NH+]1CCOCC1)O2
InChIInChI=1S/C17H19Cl2NO2/c18-14-10-12-9-13-3-1-2-4-17(13,20-5-7-21-8-6-20)22-16(12)15(19)11-14/h9-11H,1-8H2/p+1/t17-/m1/s1
InChIKeyCOSRWYZDVXYLOJ-QGZVFWFLSA-O
XLogP2.95
TPSA22.90 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(4aR)-5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl]morpholin-4-ium with MolForge

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Related Compounds

1-[(4aS)-5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl]piperidin-1-ium
CID 6934760
1-[(4aS)-5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl]piperidine
CID 739047
5,7-dichloro-N-methyl-N-phenyl-1,2,3,4-tetrahydroxanthen-4a-amine
CID 23847350
1-(5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl)-2,3-dihydroindole
CID 23906161
6,8-dichlorospiro[2,3-dihydrochromene-4,1'-cyclohexane]
CID 175151715
(5aR,9aS)-5a-morpholin-4-ium-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol
CID 6954366
6,8-dichlorospiro[3H-chromene-2,1'-cyclopentane]-4-one
CID 165352507
(7,9-dichloro-2,3-dihydro-1-benzoxepin-4-yl)-phenylmethanone
CID 73333671
1-(5,7-dibromo-1,2,3,4-tetrahydroxanthen-4a-yl)azepane
CID 23731486
N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-3-morpholin-4-ylbutan-2-amine
CID 119123831
4-(chloromethyl)-4-[(3,4-dichlorophenyl)methyl]oxane
CID 66035545
6,8-dichlorospiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-ol
CID 82045909

Frequently Asked Questions

What is the IUPAC name of 4-[(4aR)-5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl]morpholin-4-ium?
The IUPAC name of 4-[(4aR)-5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl]morpholin-4-ium (CID 6941691) is 4-[(4aR)-5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl]morpholin-4-ium.
What is the SMILES notation for 4-[(4aR)-5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl]morpholin-4-ium?
The canonical SMILES for 4-[(4aR)-5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl]morpholin-4-ium is Clc1cc(Cl)c2c(c1)C=C1CCCC[C@@]1([NH+]1CCOCC1)O2.
What is the InChIKey of 4-[(4aR)-5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl]morpholin-4-ium?
The InChIKey is COSRWYZDVXYLOJ-QGZVFWFLSA-O. The full InChI is InChI=1S/C17H19Cl2NO2/c18-14-10-12-9-13-3-1-2-4-17(13,20-5-7-21-8-6-20)22-16(12)15(19)11-14/h9-11H,1-8H2/p+1/t17-/m1/s1.
What are the key properties of 4-[(4aR)-5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl]morpholin-4-ium?
4-[(4aR)-5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl]morpholin-4-ium has a molecular weight of 341.26 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4aR)-5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl]morpholin-4-ium is sourced from PubChem (CID 6941691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).