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

C13H13NO3 — CID 54106372

IUPAC7-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
SMILESCOc1ccc2c(c1)CCc1c(O)[nH]c(O)c1-2
InChIInChI=1S/C13H13NO3/c1-17-8-3-5-9-7(6-8)2-4-10-11(9)13(16)14-12(10)15/h3,5-6,14-16H,2,4H2,1H3
InChIKeyNEATTYAGIJVQMN-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.20
Rot. Bonds1

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

7-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol (PubChem CID 54106372) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 7-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol.

Molecular Properties

Compound Name7-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
PubChem CID54106372
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name7-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
SMILESCOc1ccc2c(c1)CCc1c(O)[nH]c(O)c1-2
InChIInChI=1S/C13H13NO3/c1-17-8-3-5-9-7(6-8)2-4-10-11(9)13(16)14-12(10)15/h3,5-6,14-16H,2,4H2,1H3
InChIKeyNEATTYAGIJVQMN-UHFFFAOYSA-N
XLogP2.20
TPSA65.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,7-trimethoxy-9,10-dihydrophenanthren-3-ol
CID 24762424
6-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
CID 54275814
7-methoxy-4,5-dihydro-1H-benzo[g]indole
CID 10535996
2,3-difluoro-8-methoxy-5,6-dihydrochrysene-1,4-diol
CID 101221197
3-methoxy-8-methyl-6,11-dihydro-5H-benzo[a]carbazole
CID 54511080
7,19-dimethoxy-13-phenyl-2-oxoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene
CID 27017806
8-methoxy-2-oxo-4-piperidin-1-yl-5,6-dihydro-3H-benzo[f]isoquinoline-1-carbonitrile
CID 24770247
5-methoxy-N-methyl-2,3-dihydroinden-1-imine oxide
CID 11030624
2-methoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene
CID 18377970
(2E)-2-hydroxyimino-6-methoxy-3,4-dihydronaphthalen-1-one
CID 6412519
(7-methoxy-4,5-dihydrobenzo[g][2]benzofuran-1-yl)-phenylmethanone
CID 102169217
8-[(5-hydroxy-7-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-6-methoxy-9,10-dihydrophenanthrene-2,5-diol
CID 102026936

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol?
The IUPAC name of 7-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol (CID 54106372) is 7-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol.
What is the SMILES notation for 7-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol?
The canonical SMILES for 7-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol is COc1ccc2c(c1)CCc1c(O)[nH]c(O)c1-2.
What is the InChIKey of 7-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol?
The InChIKey is NEATTYAGIJVQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-17-8-3-5-9-7(6-8)2-4-10-11(9)13(16)14-12(10)15/h3,5-6,14-16H,2,4H2,1H3.
What are the key properties of 7-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol?
7-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol has a molecular weight of 231.25 g/mol, XLogP of 2.20, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol is sourced from PubChem (CID 54106372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).