6,7-dimethoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol

C14H15NO4 — CID 54126382

IUPAC6,7-dimethoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
SMILESCOc1ccc2c(c1OC)CCc1c(O)[nH]c(O)c1-2
InChIInChI=1S/C14H15NO4/c1-18-10-6-5-7-8(12(10)19-2)3-4-9-11(7)14(17)15-13(9)16/h5-6,15-17H,3-4H2,1-2H3
InChIKeyNRGFJFJRRDDWTM-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.21
Rot. Bonds2

About 6,7-dimethoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol

6,7-dimethoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol (PubChem CID 54126382) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 6,7-dimethoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol.

Molecular Properties

Compound Name6,7-dimethoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
PubChem CID54126382
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name6,7-dimethoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
SMILESCOc1ccc2c(c1OC)CCc1c(O)[nH]c(O)c1-2
InChIInChI=1S/C14H15NO4/c1-18-10-6-5-7-8(12(10)19-2)3-4-9-11(7)14(17)15-13(9)16/h5-6,15-17H,3-4H2,1-2H3
InChIKeyNRGFJFJRRDDWTM-UHFFFAOYSA-N
XLogP2.21
TPSA74.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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
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
2H-[1]benzoxepino[4,5-c]pyrrole-1,3-diol
CID 54061447
7-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
CID 54106372
6-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
CID 54275814
10-(1,3-benzodioxol-5-yl)-8H-[1,3]benzodioxolo[7,6-f]isoindole-7,9-diol
CID 54413685
5,6-dimethoxy-4-(4-methoxyphenyl)-2H-benzo[f]isoindol-1-ol
CID 54489893
6-methoxy-9-(3-phenylpropoxy)-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
CID 54492975
6,7-dimethoxy-9-methyl-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
CID 54505504

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol?
The IUPAC name of 6,7-dimethoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol (CID 54126382) is 6,7-dimethoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol.
What is the SMILES notation for 6,7-dimethoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol?
The canonical SMILES for 6,7-dimethoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol is COc1ccc2c(c1OC)CCc1c(O)[nH]c(O)c1-2.
What is the InChIKey of 6,7-dimethoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol?
The InChIKey is NRGFJFJRRDDWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-18-10-6-5-7-8(12(10)19-2)3-4-9-11(7)14(17)15-13(9)16/h5-6,15-17H,3-4H2,1-2H3.
What are the key properties of 6,7-dimethoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol?
6,7-dimethoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol has a molecular weight of 261.28 g/mol, XLogP of 2.21, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol is sourced from PubChem (CID 54126382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).