7-morpholin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol

C12H15NO4 — CID 117346368

IUPAC7-morpholin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol
SMILESOc1cc2c(cc1C1CNCCO1)OCCO2
InChIInChI=1S/C12H15NO4/c14-9-6-11-10(16-3-4-17-11)5-8(9)12-7-13-1-2-15-12/h5-6,12-14H,1-4,7H2
InChIKeySWQRDBRUKRXFOL-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.82
Rot. Bonds1

About 7-morpholin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol

7-morpholin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol (PubChem CID 117346368) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 7-morpholin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol.

Molecular Properties

Compound Name7-morpholin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol
PubChem CID117346368
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name7-morpholin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol
SMILESOc1cc2c(cc1C1CNCCO1)OCCO2
InChIInChI=1S/C12H15NO4/c14-9-6-11-10(16-3-4-17-11)5-8(9)12-7-13-1-2-15-12/h5-6,12-14H,1-4,7H2
InChIKeySWQRDBRUKRXFOL-UHFFFAOYSA-N
XLogP0.82
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine
CID 117392151
2-methyl-5-morpholin-2-ylbenzene-1,4-diol
CID 117298411
2-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine
CID 117421822
3-morpholin-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117338465
2-(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine
CID 117376104
6-bromo-3-morpholin-2-ylnaphthalen-2-ol
CID 117493024
2-[7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]morpholine
CID 117488290
2,5-difluoro-4-morpholin-2-ylphenol
CID 117306323
2-(6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine
CID 117499204
2-morpholin-2-yl-5-propan-2-ylphenol
CID 117316057
2-bromo-4-methyl-5-morpholin-2-ylphenol
CID 84809549
4-chloro-2-fluoro-6-morpholin-2-ylphenol
CID 117335358

Frequently Asked Questions

What is the IUPAC name of 7-morpholin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol?
The IUPAC name of 7-morpholin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol (CID 117346368) is 7-morpholin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol.
What is the SMILES notation for 7-morpholin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol?
The canonical SMILES for 7-morpholin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol is Oc1cc2c(cc1C1CNCCO1)OCCO2.
What is the InChIKey of 7-morpholin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol?
The InChIKey is SWQRDBRUKRXFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c14-9-6-11-10(16-3-4-17-11)5-8(9)12-7-13-1-2-15-12/h5-6,12-14H,1-4,7H2.
What are the key properties of 7-morpholin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol?
7-morpholin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol has a molecular weight of 237.25 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-morpholin-2-yl-2,3-dihydro-1,4-benzodioxin-6-ol is sourced from PubChem (CID 117346368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).