4-(5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl)morpholine

C17H19Cl2NO2 — CID 2866138

IUPAC4-(5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl)morpholine
SMILESClc1cc(Cl)c2c(c1)C=C1CCCCC1(N1CCOCC1)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
InChIKeyCOSRWYZDVXYLOJ-UHFFFAOYSA-N
MW340.25 g/mol
LogP4.37
Rot. Bonds1

About 4-(5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl)morpholine

4-(5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl)morpholine (PubChem CID 2866138) has the molecular formula C17H19Cl2NO2 and a molecular weight of 340.25 g/mol. Its IUPAC name is 4-(5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl)morpholine.

Molecular Properties

Compound Name4-(5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl)morpholine
PubChem CID2866138
Molecular FormulaC17H19Cl2NO2
Molecular Weight340.25 g/mol
Exact Mass339.08
IUPAC Name4-(5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl)morpholine
SMILESClc1cc(Cl)c2c(c1)C=C1CCCCC1(N1CCOCC1)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
InChIKeyCOSRWYZDVXYLOJ-UHFFFAOYSA-N
XLogP4.37
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl)morpholine?
The IUPAC name of 4-(5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl)morpholine (CID 2866138) is 4-(5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl)morpholine.
What is the SMILES notation for 4-(5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl)morpholine?
The canonical SMILES for 4-(5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl)morpholine is Clc1cc(Cl)c2c(c1)C=C1CCCCC1(N1CCOCC1)O2.
What is the InChIKey of 4-(5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl)morpholine?
The InChIKey is COSRWYZDVXYLOJ-UHFFFAOYSA-N. 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.
What are the key properties of 4-(5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl)morpholine?
4-(5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl)morpholine has a molecular weight of 340.25 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dichloro-1,2,3,4-tetrahydroxanthen-4a-yl)morpholine is sourced from PubChem (CID 2866138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).