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

C13H13NO3 — CID 54275814

IUPAC6-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
SMILESCOc1cccc2c1CCc1c(O)[nH]c(O)c1-2
InChIInChI=1S/C13H13NO3/c1-17-10-4-2-3-8-7(10)5-6-9-11(8)13(16)14-12(9)15/h2-4,14-16H,5-6H2,1H3
InChIKeyRNIINGGTDRMWGB-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.20
Rot. Bonds1

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

6-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol (PubChem CID 54275814) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 6-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol.

Molecular Properties

Compound Name6-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
PubChem CID54275814
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name6-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
SMILESCOc1cccc2c1CCc1c(O)[nH]c(O)c1-2
InChIInChI=1S/C13H13NO3/c1-17-10-4-2-3-8-7(10)5-6-9-11(8)13(16)14-12(9)15/h2-4,14-16H,5-6H2,1H3
InChIKeyRNIINGGTDRMWGB-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

4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
CID 54538385
N-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 3532765
methyl 2-fluoro-5-methoxy-3,4-dihydronaphthalene-1-carboxylate
CID 102446417
5-methoxy-1-phenyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 115057866
methyl 5-methoxy-3,4-dihydronaphthalene-1-carboxylate
CID 23567165
8-methoxy-3,3-dimethyl-4-methylidene-1,2-dihydronaphthalene
CID 12784473
(2R)-5-methoxy-2-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 95431927
6-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole
CID 67506441
1-(5-methoxy-3,4-dihydronaphthalen-1-yl)propan-2-one
CID 132600226
5-[(5-methoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole
CID 12045082
(5-methoxy-3,4-dihydronaphthalen-1-yl)oxy-trimethylsilane
CID 11770788
2-bromo-5-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 18941101

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol?
The IUPAC name of 6-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol (CID 54275814) is 6-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol.
What is the SMILES notation for 6-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol?
The canonical SMILES for 6-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol is COc1cccc2c1CCc1c(O)[nH]c(O)c1-2.
What is the InChIKey of 6-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol?
The InChIKey is RNIINGGTDRMWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-17-10-4-2-3-8-7(10)5-6-9-11(8)13(16)14-12(9)15/h2-4,14-16H,5-6H2,1H3.
What are the key properties of 6-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol?
6-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 6-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol is sourced from PubChem (CID 54275814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).