2-ethyl-6,7-dimethoxy-9-methyl-4,5-dihydrobenzo[e]isoindole-1,3-diol

C17H21NO4 — CID 57042463

IUPAC2-ethyl-6,7-dimethoxy-9-methyl-4,5-dihydrobenzo[e]isoindole-1,3-diol
SMILESCCn1c(O)c2c(c1O)-c1c(C)cc(OC)c(OC)c1CC2
InChIInChI=1S/C17H21NO4/c1-5-18-16(19)11-7-6-10-13(14(11)17(18)20)9(2)8-12(21-3)15(10)22-4/h8,19-20H,5-7H2,1-4H3
InChIKeyBIDNBUVIXFNIGR-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.01
Rot. Bonds3

About 2-ethyl-6,7-dimethoxy-9-methyl-4,5-dihydrobenzo[e]isoindole-1,3-diol

2-ethyl-6,7-dimethoxy-9-methyl-4,5-dihydrobenzo[e]isoindole-1,3-diol (PubChem CID 57042463) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-ethyl-6,7-dimethoxy-9-methyl-4,5-dihydrobenzo[e]isoindole-1,3-diol.

Molecular Properties

Compound Name2-ethyl-6,7-dimethoxy-9-methyl-4,5-dihydrobenzo[e]isoindole-1,3-diol
PubChem CID57042463
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name2-ethyl-6,7-dimethoxy-9-methyl-4,5-dihydrobenzo[e]isoindole-1,3-diol
SMILESCCn1c(O)c2c(c1O)-c1c(C)cc(OC)c(OC)c1CC2
InChIInChI=1S/C17H21NO4/c1-5-18-16(19)11-7-6-10-13(14(11)17(18)20)9(2)8-12(21-3)15(10)22-4/h8,19-20H,5-7H2,1-4H3
InChIKeyBIDNBUVIXFNIGR-UHFFFAOYSA-N
XLogP3.01
TPSA63.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-6,7-dimethoxy-9-methyl-4,5-dihydrobenzo[e]isoindole-1,3-diol 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

[3-(3,4-Dimethoxyphenyl)-2-(hydroxymethyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol
CID 42597687
2-Ethyl-9-[3-(4-fluorophenyl)propoxy]-6-methoxy-4,5-dihydrobenzo[e]isoindole-1,3-diol
CID 57220806
2-(4-Hydroxy-3,5-dimethylphenyl)-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carbonitrile
CID 11234624
2-(4-Hydroxy-3,5-dimethylphenyl)-8,9-dimethoxy-3,5-dimethyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carbonitrile
CID 11281099
4-(8,9-Dimethoxy-3-methyl-1-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinolin-2-yl)-2,6-dimethylphenol
CID 11751018
Methyl 3-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-3-(3,4-dimethoxyphenyl)propanoate
CID 53640515
6,9-Dimethoxy-2-propyl-4,5-dihydrobenzo[e]isoindole-1,3-diol
CID 53645935
10-(1,3-Benzodioxol-5-yl)-8-methyl-[1,3]benzodioxolo[7,6-f]isoindol-7-ol
CID 53721586
6-Methoxy-2-methyl-4,5-dihydrobenzo[e]isoindole-1,3-diol
CID 53774594
10-(1,3-Benzodioxol-5-yl)-8-propan-2-yl-[1,3]benzodioxolo[7,6-f]isoindol-7-ol
CID 53940912
6,7-Dimethoxy-2,9-dimethyl-4,5-dihydrobenzo[e]isoindole-1,3-diol
CID 54034872
2-[2-(4-Hydroxyphenyl)ethyl]-5-methoxy-4-pentoxyisoindol-1-ol
CID 54122979

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6,7-dimethoxy-9-methyl-4,5-dihydrobenzo[e]isoindole-1,3-diol?
The IUPAC name of 2-ethyl-6,7-dimethoxy-9-methyl-4,5-dihydrobenzo[e]isoindole-1,3-diol (CID 57042463) is 2-ethyl-6,7-dimethoxy-9-methyl-4,5-dihydrobenzo[e]isoindole-1,3-diol.
What is the SMILES notation for 2-ethyl-6,7-dimethoxy-9-methyl-4,5-dihydrobenzo[e]isoindole-1,3-diol?
The canonical SMILES for 2-ethyl-6,7-dimethoxy-9-methyl-4,5-dihydrobenzo[e]isoindole-1,3-diol is CCn1c(O)c2c(c1O)-c1c(C)cc(OC)c(OC)c1CC2.
What is the InChIKey of 2-ethyl-6,7-dimethoxy-9-methyl-4,5-dihydrobenzo[e]isoindole-1,3-diol?
The InChIKey is BIDNBUVIXFNIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-5-18-16(19)11-7-6-10-13(14(11)17(18)20)9(2)8-12(21-3)15(10)22-4/h8,19-20H,5-7H2,1-4H3.
What are the key properties of 2-ethyl-6,7-dimethoxy-9-methyl-4,5-dihydrobenzo[e]isoindole-1,3-diol?
2-ethyl-6,7-dimethoxy-9-methyl-4,5-dihydrobenzo[e]isoindole-1,3-diol has a molecular weight of 303.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6,7-dimethoxy-9-methyl-4,5-dihydrobenzo[e]isoindole-1,3-diol is sourced from PubChem (CID 57042463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).