2-(6-chloro-4H-1,3-benzodioxin-5-yl)morpholine

C12H14ClNO3 — CID 117392146

IUPAC2-(6-chloro-4H-1,3-benzodioxin-5-yl)morpholine
SMILESClc1ccc2c(c1C1CNCCO1)COCO2
InChIInChI=1S/C12H14ClNO3/c13-9-1-2-10-8(6-15-7-17-10)12(9)11-5-14-3-4-16-11/h1-2,11,14H,3-7H2
InChIKeySGKHBVGBNQQBQN-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.87
Rot. Bonds1

About 2-(6-chloro-4H-1,3-benzodioxin-5-yl)morpholine

2-(6-chloro-4H-1,3-benzodioxin-5-yl)morpholine (PubChem CID 117392146) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-(6-chloro-4H-1,3-benzodioxin-5-yl)morpholine.

Molecular Properties

Compound Name2-(6-chloro-4H-1,3-benzodioxin-5-yl)morpholine
PubChem CID117392146
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name2-(6-chloro-4H-1,3-benzodioxin-5-yl)morpholine
SMILESClc1ccc2c(c1C1CNCCO1)COCO2
InChIInChI=1S/C12H14ClNO3/c13-9-1-2-10-8(6-15-7-17-10)12(9)11-5-14-3-4-16-11/h1-2,11,14H,3-7H2
InChIKeySGKHBVGBNQQBQN-UHFFFAOYSA-N
XLogP1.87
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-6-methyl-1,3-benzodioxol-5-yl)morpholine
CID 117392145
2-(2-chloro-3,6-difluorophenyl)morpholine
CID 117339537
2-(2-chloro-6-methylsulfanylphenyl)morpholine
CID 117361636
2-(7-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)morpholine
CID 117427284
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine
CID 117392151
2-(5-bromo-2-chlorophenyl)morpholine
CID 83745002
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
2-chloro-6-methyl-4-morpholin-2-ylphenol
CID 84791758
4-chloro-3-methyl-2-morpholin-2-yl-6-propan-2-ylphenol
CID 117427567
2-(4-bromo-3-chlorophenyl)morpholine
CID 83745004
2-(4-bromo-6-methyl-1,3-benzodioxol-5-yl)morpholine
CID 117483006
4-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)piperidine
CID 117348278

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4H-1,3-benzodioxin-5-yl)morpholine?
The IUPAC name of 2-(6-chloro-4H-1,3-benzodioxin-5-yl)morpholine (CID 117392146) is 2-(6-chloro-4H-1,3-benzodioxin-5-yl)morpholine.
What is the SMILES notation for 2-(6-chloro-4H-1,3-benzodioxin-5-yl)morpholine?
The canonical SMILES for 2-(6-chloro-4H-1,3-benzodioxin-5-yl)morpholine is Clc1ccc2c(c1C1CNCCO1)COCO2.
What is the InChIKey of 2-(6-chloro-4H-1,3-benzodioxin-5-yl)morpholine?
The InChIKey is SGKHBVGBNQQBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c13-9-1-2-10-8(6-15-7-17-10)12(9)11-5-14-3-4-16-11/h1-2,11,14H,3-7H2.
What are the key properties of 2-(6-chloro-4H-1,3-benzodioxin-5-yl)morpholine?
2-(6-chloro-4H-1,3-benzodioxin-5-yl)morpholine has a molecular weight of 255.70 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4H-1,3-benzodioxin-5-yl)morpholine is sourced from PubChem (CID 117392146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).