6,7-dimethoxy-9-methyl-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol

Name: 6,7-dimethoxy-9-methyl-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₁₇NO₄ — CID 54505504

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC6,7-dimethoxy-9-methyl-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol

SMILESCOc1cc(C)c2c(c1OC)CCc1c(O)[nH]c(O)c1-2

InChIInChI=1S/C15H17NO4/c1-7-6-10(19-2)13(20-3)8-4-5-9-12(11(7)8)15(18)16-14(9)17/h6,16-18H,4-5H2,1-3H3

InChIKeyYFJRFQISLJVSJA-UHFFFAOYSA-N

MW275.30 g/mol

LogP2.52

Rot. Bonds2

About 6,7-dimethoxy-9-methyl-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol

6,7-dimethoxy-9-methyl-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol (PubChem CID 54505504) has the molecular formula C₁₅H₁₇NO₄ and a molecular weight of 275.30 g/mol. Its IUPAC name is 6,7-dimethoxy-9-methyl-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol.

Molecular Properties

Compound Name	6,7-dimethoxy-9-methyl-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
PubChem CID	54505504
Molecular Formula	C₁₅H₁₇NO₄
Molecular Weight	275.30 g/mol
Exact Mass	275.12
IUPAC Name	6,7-dimethoxy-9-methyl-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
SMILES	COc1cc(C)c2c(c1OC)CCc1c(O)[nH]c(O)c1-2
InChI	InChI=1S/C15H17NO4/c1-7-6-10(19-2)13(20-3)8-4-5-9-12(11(7)8)15(18)16-14(9)17/h6,16-18H,4-5H2,1-3H3
InChIKey	YFJRFQISLJVSJA-UHFFFAOYSA-N
XLogP	2.52
TPSA	74.71 Å²
H-Bond Donors	3
H-Bond Acceptors	4
Rotatable Bonds	2
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	275.30
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-9-methyl-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol?

The IUPAC name of 6,7-dimethoxy-9-methyl-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol (CID 54505504) is 6,7-dimethoxy-9-methyl-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol.

What is the SMILES notation for 6,7-dimethoxy-9-methyl-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol?

The canonical SMILES for 6,7-dimethoxy-9-methyl-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol is COc1cc(C)c2c(c1OC)CCc1c(O)[nH]c(O)c1-2.

What is the InChIKey of 6,7-dimethoxy-9-methyl-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol?

The InChIKey is YFJRFQISLJVSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-7-6-10(19-2)13(20-3)8-4-5-9-12(11(7)8)15(18)16-14(9)17/h6,16-18H,4-5H2,1-3H3.

What are the key properties of 6,7-dimethoxy-9-methyl-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol?

6,7-dimethoxy-9-methyl-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol has a molecular weight of 275.30 g/mol, XLogP of 2.52, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dimethoxy-9-methyl-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol is sourced from PubChem (CID 54505504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 54505504 — identifiers, structure, computed properties (public domain)

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