2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine

C12H14ClNO3 — CID 117392151

IUPAC2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine
SMILESClc1cc2c(cc1C1CNCCO1)OCCO2
InChIInChI=1S/C12H14ClNO3/c13-9-6-11-10(16-3-4-17-11)5-8(9)12-7-14-1-2-15-12/h5-6,12,14H,1-4,7H2
InChIKeyFCSZSKNHEHBNOJ-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.77
Rot. Bonds1

About 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine

2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine (PubChem CID 117392151) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine.

Molecular Properties

Compound Name2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine
PubChem CID117392151
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine
SMILESClc1cc2c(cc1C1CNCCO1)OCCO2
InChIInChI=1S/C12H14ClNO3/c13-9-6-11-10(16-3-4-17-11)5-8(9)12-7-14-1-2-15-12/h5-6,12,14H,1-4,7H2
InChIKeyFCSZSKNHEHBNOJ-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-morpholin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117346368
2-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine
CID 117421822
2-(2-chloro-4,5-dimethoxyphenyl)morpholine
CID 117397861
2-(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine
CID 117376104
2-(7-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)morpholine
CID 117427284
3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
CID 117387263
2-(5-bromo-2-chlorophenyl)morpholine
CID 83745002
2-[7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]morpholine
CID 117488290
2-(6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine
CID 117499204
2-[2-chloro-4-(1,1-difluoroethyl)phenyl]morpholine
CID 117409073
4-chloro-2-fluoro-6-morpholin-2-ylphenol
CID 117335358
2-(6,7-dimethyl-1,3-benzodioxol-5-yl)morpholine
CID 117342217

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine?
The IUPAC name of 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine (CID 117392151) is 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine.
What is the SMILES notation for 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine?
The canonical SMILES for 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine is Clc1cc2c(cc1C1CNCCO1)OCCO2.
What is the InChIKey of 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine?
The InChIKey is FCSZSKNHEHBNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c13-9-6-11-10(16-3-4-17-11)5-8(9)12-7-14-1-2-15-12/h5-6,12,14H,1-4,7H2.
What are the key properties of 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine?
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine has a molecular weight of 255.70 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine is sourced from PubChem (CID 117392151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).