2-ethyl-6-methoxy-9-(2-phenylethoxy)-4,5-dihydrobenzo[e]isoindole-1,3-diol

C23H25NO4 — CID 57233043

IUPAC2-ethyl-6-methoxy-9-(2-phenylethoxy)-4,5-dihydrobenzo[e]isoindole-1,3-diol
SMILESCCn1c(O)c2c(c1O)-c1c(OCCc3ccccc3)ccc(OC)c1CC2
InChIInChI=1S/C23H25NO4/c1-3-24-22(25)17-10-9-16-18(27-2)11-12-19(20(16)21(17)23(24)26)28-14-13-15-7-5-4-6-8-15/h4-8,11-12,25-26H,3,9-10,13-14H2,1-2H3
InChIKeyMUWOQOVUYSJNIO-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.31
Rot. Bonds6

About 2-ethyl-6-methoxy-9-(2-phenylethoxy)-4,5-dihydrobenzo[e]isoindole-1,3-diol

2-ethyl-6-methoxy-9-(2-phenylethoxy)-4,5-dihydrobenzo[e]isoindole-1,3-diol (PubChem CID 57233043) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-ethyl-6-methoxy-9-(2-phenylethoxy)-4,5-dihydrobenzo[e]isoindole-1,3-diol.

Molecular Properties

Compound Name2-ethyl-6-methoxy-9-(2-phenylethoxy)-4,5-dihydrobenzo[e]isoindole-1,3-diol
PubChem CID57233043
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name2-ethyl-6-methoxy-9-(2-phenylethoxy)-4,5-dihydrobenzo[e]isoindole-1,3-diol
SMILESCCn1c(O)c2c(c1O)-c1c(OCCc3ccccc3)ccc(OC)c1CC2
InChIInChI=1S/C23H25NO4/c1-3-24-22(25)17-10-9-16-18(27-2)11-12-19(20(16)21(17)23(24)26)28-14-13-15-7-5-4-6-8-15/h4-8,11-12,25-26H,3,9-10,13-14H2,1-2H3
InChIKeyMUWOQOVUYSJNIO-UHFFFAOYSA-N
XLogP4.31
TPSA63.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-6-methoxy-9-(2-phenylethoxy)-4,5-dihydrobenzo[e]isoindole-1,3-diol with MolForge

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Related Compounds

9-[3-(4-fluorophenyl)propoxy]-6-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
CID 56987660
2-Ethyl-9-[3-(4-fluorophenyl)propoxy]-6-methoxy-4,5-dihydrobenzo[e]isoindole-1,3-diol
CID 57220806
[2-(Hydroxymethyl)-3-(2-methoxyphenyl)-5,10-dihydropyrrolo[1,2-b]isoquinolin-1-yl]methanol
CID 42597685
6-methoxy-9-[3-(4-methylphenyl)propoxy]-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
CID 53645308
6,9-Dimethoxy-2-propyl-4,5-dihydrobenzo[e]isoindole-1,3-diol
CID 53645935
6-Methoxy-2-methyl-4,5-dihydrobenzo[e]isoindole-1,3-diol
CID 53774594
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
5-Methoxy-4-pentoxy-2-[2-(4-phenylmethoxyphenyl)ethyl]isoindol-1-ol
CID 54137106
4,5-Dipentoxy-2-[2-(4-phenylmethoxyphenyl)ethyl]isoindole-1,3-diol
CID 54166129
4,5-Dipentoxy-2-[2-(4-phenylmethoxyphenyl)ethyl]isoindol-1-ol
CID 54205379
5-Methoxy-2-[2-(4-methylphenyl)ethyl]-4-pentoxyisoindol-1-ol
CID 54212561

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methoxy-9-(2-phenylethoxy)-4,5-dihydrobenzo[e]isoindole-1,3-diol?
The IUPAC name of 2-ethyl-6-methoxy-9-(2-phenylethoxy)-4,5-dihydrobenzo[e]isoindole-1,3-diol (CID 57233043) is 2-ethyl-6-methoxy-9-(2-phenylethoxy)-4,5-dihydrobenzo[e]isoindole-1,3-diol.
What is the SMILES notation for 2-ethyl-6-methoxy-9-(2-phenylethoxy)-4,5-dihydrobenzo[e]isoindole-1,3-diol?
The canonical SMILES for 2-ethyl-6-methoxy-9-(2-phenylethoxy)-4,5-dihydrobenzo[e]isoindole-1,3-diol is CCn1c(O)c2c(c1O)-c1c(OCCc3ccccc3)ccc(OC)c1CC2.
What is the InChIKey of 2-ethyl-6-methoxy-9-(2-phenylethoxy)-4,5-dihydrobenzo[e]isoindole-1,3-diol?
The InChIKey is MUWOQOVUYSJNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-3-24-22(25)17-10-9-16-18(27-2)11-12-19(20(16)21(17)23(24)26)28-14-13-15-7-5-4-6-8-15/h4-8,11-12,25-26H,3,9-10,13-14H2,1-2H3.
What are the key properties of 2-ethyl-6-methoxy-9-(2-phenylethoxy)-4,5-dihydrobenzo[e]isoindole-1,3-diol?
2-ethyl-6-methoxy-9-(2-phenylethoxy)-4,5-dihydrobenzo[e]isoindole-1,3-diol has a molecular weight of 379.46 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methoxy-9-(2-phenylethoxy)-4,5-dihydrobenzo[e]isoindole-1,3-diol is sourced from PubChem (CID 57233043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).