6-[1,3-Benzodioxol-5-yl(morpholin-4-yl)methyl]-1,3-benzodioxol-5-ol

C19H19NO6 — CID 339882

IUPAC6-[1,3-benzodioxol-5-yl(morpholin-4-yl)methyl]-1,3-benzodioxol-5-ol
SMILESC1COCCN1C(C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4O)OCO5
InChIInChI=1S/C19H19NO6/c21-14-9-18-17(25-11-26-18)8-13(14)19(20-3-5-22-6-4-20)12-1-2-15-16(7-12)24-10-23-15/h1-2,7-9,19,21H,3-6,10-11H2
InChIKeyBJEIGUUUOWFEKX-UHFFFAOYSA-N
MW357.40 g/mol
LogP2.40
Rot. Bonds3

About 6-[1,3-Benzodioxol-5-yl(morpholin-4-yl)methyl]-1,3-benzodioxol-5-ol

6-[1,3-Benzodioxol-5-yl(morpholin-4-yl)methyl]-1,3-benzodioxol-5-ol (PubChem CID 339882) has the molecular formula C19H19NO6 and a molecular weight of 357.40 g/mol. Its IUPAC name is 6-[1,3-benzodioxol-5-yl(morpholin-4-yl)methyl]-1,3-benzodioxol-5-ol.

Molecular Properties

Compound Name6-[1,3-Benzodioxol-5-yl(morpholin-4-yl)methyl]-1,3-benzodioxol-5-ol
PubChem CID339882
Molecular FormulaC19H19NO6
Molecular Weight357.40 g/mol
Exact Mass357.12
IUPAC Name6-[1,3-benzodioxol-5-yl(morpholin-4-yl)methyl]-1,3-benzodioxol-5-ol
SMILESC1COCCN1C(C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4O)OCO5
InChIInChI=1S/C19H19NO6/c21-14-9-18-17(25-11-26-18)8-13(14)19(20-3-5-22-6-4-20)12-1-2-15-16(7-12)24-10-23-15/h1-2,7-9,19,21H,3-6,10-11H2
InChIKeyBJEIGUUUOWFEKX-UHFFFAOYSA-N
XLogP2.40
TPSA69.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity487

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

Isorheagenine
CID 609840
Glaucamine
CID 609842
Glaudine
CID 633491
6-[(3,4-dimethoxyphenyl)(morpholin-4-yl)methyl]-2H-1,3-benzodioxol-5-ol
CID 339886
6-[Morpholin-4-yl-[4-(trifluoromethyl)phenyl]methyl]-1,3-benzodioxol-5-ol
CID 2725942
Ophiocarpine
CID 12313750
13-Berbinol, 9,10-dimethoxy-2,3-(methylenedioxy)-
CID 10164
(5bR,13bR,15S)-5b,6,7,8,13b,15-Hexahydro-15-methoxy-6-methyl(1,3)dioxolo(4,5-h)-1,3-dioxolo(7,8)(2)benzopyrano(3,4-a)(3)benzazepine
CID 197775
(13S,14R)-1-hydroxy-13-O-acetyl-N-methylcanadine
CID 86278052
(13S,14R)-1,13-dihydroxy-N-methylcanadine
CID 86278053
Narcotine hemiacetal
CID 90657121
6-[[4-(2-Methoxyphenyl)piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol
CID 2465409

Frequently Asked Questions

What is the IUPAC name of 6-[1,3-Benzodioxol-5-yl(morpholin-4-yl)methyl]-1,3-benzodioxol-5-ol?
The IUPAC name of 6-[1,3-Benzodioxol-5-yl(morpholin-4-yl)methyl]-1,3-benzodioxol-5-ol (CID 339882) is 6-[1,3-benzodioxol-5-yl(morpholin-4-yl)methyl]-1,3-benzodioxol-5-ol.
What is the SMILES notation for 6-[1,3-Benzodioxol-5-yl(morpholin-4-yl)methyl]-1,3-benzodioxol-5-ol?
The canonical SMILES for 6-[1,3-Benzodioxol-5-yl(morpholin-4-yl)methyl]-1,3-benzodioxol-5-ol is C1COCCN1C(C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4O)OCO5.
What is the InChIKey of 6-[1,3-Benzodioxol-5-yl(morpholin-4-yl)methyl]-1,3-benzodioxol-5-ol?
The InChIKey is BJEIGUUUOWFEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c21-14-9-18-17(25-11-26-18)8-13(14)19(20-3-5-22-6-4-20)12-1-2-15-16(7-12)24-10-23-15/h1-2,7-9,19,21H,3-6,10-11H2.
What are the key properties of 6-[1,3-Benzodioxol-5-yl(morpholin-4-yl)methyl]-1,3-benzodioxol-5-ol?
6-[1,3-Benzodioxol-5-yl(morpholin-4-yl)methyl]-1,3-benzodioxol-5-ol has a molecular weight of 357.40 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1,3-Benzodioxol-5-yl(morpholin-4-yl)methyl]-1,3-benzodioxol-5-ol is sourced from PubChem (CID 339882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).