(8Z)-8-methoxyimino-6-(7-methoxy-2-methyl-1-benzofuran-4-yl)-6,7-dihydrobenzo[f][1,3]benzodioxol-5-one

C22H19NO6 — CID 53238093

IUPAC(8Z)-8-methoxyimino-6-(7-methoxy-2-methyl-1-benzofuran-4-yl)-6,7-dihydrobenzo[f][1,3]benzodioxol-5-one
SMILESCO/N=C1/CC(c2ccc(OC)c3oc(C)cc23)C(=O)c2cc3c(cc21)OCO3
InChIInChI=1S/C22H19NO6/c1-11-6-16-12(4-5-18(25-2)22(16)29-11)14-7-17(23-26-3)13-8-19-20(28-10-27-19)9-15(13)21(14)24/h4-6,8-9,14H,7,10H2,1-3H3/b23-17-
InChIKeyJBWSCUSAAYMIEI-QJOMJCCJSA-N
MW393.40 g/mol
LogP4.20
Rot. Bonds3

About (8Z)-8-methoxyimino-6-(7-methoxy-2-methyl-1-benzofuran-4-yl)-6,7-dihydrobenzo[f][1,3]benzodioxol-5-one

(8Z)-8-methoxyimino-6-(7-methoxy-2-methyl-1-benzofuran-4-yl)-6,7-dihydrobenzo[f][1,3]benzodioxol-5-one (PubChem CID 53238093) has the molecular formula C22H19NO6 and a molecular weight of 393.40 g/mol. Its IUPAC name is (8Z)-8-methoxyimino-6-(7-methoxy-2-methyl-1-benzofuran-4-yl)-6,7-dihydrobenzo[f][1,3]benzodioxol-5-one.

Molecular Properties

Compound Name(8Z)-8-methoxyimino-6-(7-methoxy-2-methyl-1-benzofuran-4-yl)-6,7-dihydrobenzo[f][1,3]benzodioxol-5-one
PubChem CID53238093
Molecular FormulaC22H19NO6
Molecular Weight393.40 g/mol
Exact Mass393.12
IUPAC Name(8Z)-8-methoxyimino-6-(7-methoxy-2-methyl-1-benzofuran-4-yl)-6,7-dihydrobenzo[f][1,3]benzodioxol-5-one
SMILESCO/N=C1/CC(c2ccc(OC)c3oc(C)cc23)C(=O)c2cc3c(cc21)OCO3
InChIInChI=1S/C22H19NO6/c1-11-6-16-12(4-5-18(25-2)22(16)29-11)14-7-17(23-26-3)13-8-19-20(28-10-27-19)9-15(13)21(14)24/h4-6,8-9,14H,7,10H2,1-3H3/b23-17-
InChIKeyJBWSCUSAAYMIEI-QJOMJCCJSA-N
XLogP4.20
TPSA79.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (8Z)-8-methoxyimino-6-(7-methoxy-2-methyl-1-benzofuran-4-yl)-6,7-dihydrobenzo[f][1,3]benzodioxol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydropyrano[3,2-b]pyran-4,6-dione
CID 135640567
2-(7-methoxy-2-methyl-1-benzofuran-4-yl)morpholine
CID 82622926
2-(1,3-benzodioxol-5-yl)-7,8-dimethoxychromen-4-one
CID 11834369
6-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4-methoxyimino-7-phenylmethoxy-2,3-dihydronaphthalen-1-one
CID 139985414
2,6-dimethoxy-3-(6-methoxy-3-oxo-1,2-dihydroinden-2-yl)benzonitrile
CID 58586365
8-(5-bromo-2-methoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 2973010
7-hydroxy-3-(2-hydroxy-3,4-dimethoxyphenyl)-2,3-dihydrochromen-4-one
CID 24796965
(1S,12S)-14,15-dimethoxy-20,20-dimethyl-5,7-dioxa-20-azoniapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene
CID 11653279
5-(4-hydroxy-3,5-dimethoxyphenyl)-5,6-dihydrocyclopenta[f][1,3]benzodioxol-7-one
CID 14888545
3-(7-methoxy-2-methyl-1-benzofuran-4-yl)propanoic acid
CID 68629882
(6E)-6-[(2,3-dimethoxyphenyl)methylidene]-5H-cyclopenta[f][1,3]benzodioxol-7-one
CID 155806484
8-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 50954568

Frequently Asked Questions

What is the IUPAC name of (8Z)-8-methoxyimino-6-(7-methoxy-2-methyl-1-benzofuran-4-yl)-6,7-dihydrobenzo[f][1,3]benzodioxol-5-one?
The IUPAC name of (8Z)-8-methoxyimino-6-(7-methoxy-2-methyl-1-benzofuran-4-yl)-6,7-dihydrobenzo[f][1,3]benzodioxol-5-one (CID 53238093) is (8Z)-8-methoxyimino-6-(7-methoxy-2-methyl-1-benzofuran-4-yl)-6,7-dihydrobenzo[f][1,3]benzodioxol-5-one.
What is the SMILES notation for (8Z)-8-methoxyimino-6-(7-methoxy-2-methyl-1-benzofuran-4-yl)-6,7-dihydrobenzo[f][1,3]benzodioxol-5-one?
The canonical SMILES for (8Z)-8-methoxyimino-6-(7-methoxy-2-methyl-1-benzofuran-4-yl)-6,7-dihydrobenzo[f][1,3]benzodioxol-5-one is CO/N=C1/CC(c2ccc(OC)c3oc(C)cc23)C(=O)c2cc3c(cc21)OCO3.
What is the InChIKey of (8Z)-8-methoxyimino-6-(7-methoxy-2-methyl-1-benzofuran-4-yl)-6,7-dihydrobenzo[f][1,3]benzodioxol-5-one?
The InChIKey is JBWSCUSAAYMIEI-QJOMJCCJSA-N. The full InChI is InChI=1S/C22H19NO6/c1-11-6-16-12(4-5-18(25-2)22(16)29-11)14-7-17(23-26-3)13-8-19-20(28-10-27-19)9-15(13)21(14)24/h4-6,8-9,14H,7,10H2,1-3H3/b23-17-.
What are the key properties of (8Z)-8-methoxyimino-6-(7-methoxy-2-methyl-1-benzofuran-4-yl)-6,7-dihydrobenzo[f][1,3]benzodioxol-5-one?
(8Z)-8-methoxyimino-6-(7-methoxy-2-methyl-1-benzofuran-4-yl)-6,7-dihydrobenzo[f][1,3]benzodioxol-5-one has a molecular weight of 393.40 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-8-methoxyimino-6-(7-methoxy-2-methyl-1-benzofuran-4-yl)-6,7-dihydrobenzo[f][1,3]benzodioxol-5-one is sourced from PubChem (CID 53238093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).