5-hydroxy-6-methoxy-2-methylisoindole-1,3-dione

C10H9NO4 — CID 641801

IUPAC5-hydroxy-6-methoxy-2-methylisoindole-1,3-dione
SMILESCOc1cc2c(cc1O)C(=O)N(C)C2=O
InChIInChI=1S/C10H9NO4/c1-11-9(13)5-3-7(12)8(15-2)4-6(5)10(11)14/h3-4,12H,1-2H3
InChIKeySTQUCJZSEVAMPY-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.63
Rot. Bonds1

About 5-hydroxy-6-methoxy-2-methylisoindole-1,3-dione

5-hydroxy-6-methoxy-2-methylisoindole-1,3-dione (PubChem CID 641801) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is 5-hydroxy-6-methoxy-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-hydroxy-6-methoxy-2-methylisoindole-1,3-dione
PubChem CID641801
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name5-hydroxy-6-methoxy-2-methylisoindole-1,3-dione
SMILESCOc1cc2c(cc1O)C(=O)N(C)C2=O
InChIInChI=1S/C10H9NO4/c1-11-9(13)5-3-7(12)8(15-2)4-6(5)10(11)14/h3-4,12H,1-2H3
InChIKeySTQUCJZSEVAMPY-UHFFFAOYSA-N
XLogP0.63
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Ethamivan
CID 9363
5-(2-Methoxyphenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
CID 4988615
3,4-Dihydro-7-hydroxy-6-methoxy-2-methyl-1(2H)-isoquinolinone
CID 89048
N-(2-(3,4-Dimethoxyphenyl)ethyl)phthalimide
CID 3996345
5-hydroxy-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione
CID 10702443
Falipamil
CID 71222
2-[2-(4-Hydroxyphenyl)ethyl]-5-methoxy-4-pentyloxyisoindole-1,3-dione
CID 19363420
2-[2-(4-Hydroxyphenyl)ethyl]-5-methoxy-4-pentyloxy-2,3-dihydroisoindol-1-one
CID 19363480
3-ethoxy-N,N-diethyl-4-hydroxybenzamide
CID 26324
2-Hydroxy-5-methoxyisoindoline-1,3-dione
CID 15893226
4-hydroxy-3-methoxy-N-octylbenzamide
CID 42759
2,12b-Dihydroxy-3-methoxy-5,6-dihydroisoindolo[1,2-a]isoquinolin-8-one
CID 101897062

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-methoxy-2-methylisoindole-1,3-dione?
The IUPAC name of 5-hydroxy-6-methoxy-2-methylisoindole-1,3-dione (CID 641801) is 5-hydroxy-6-methoxy-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-hydroxy-6-methoxy-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-hydroxy-6-methoxy-2-methylisoindole-1,3-dione is COc1cc2c(cc1O)C(=O)N(C)C2=O.
What is the InChIKey of 5-hydroxy-6-methoxy-2-methylisoindole-1,3-dione?
The InChIKey is STQUCJZSEVAMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c1-11-9(13)5-3-7(12)8(15-2)4-6(5)10(11)14/h3-4,12H,1-2H3.
What are the key properties of 5-hydroxy-6-methoxy-2-methylisoindole-1,3-dione?
5-hydroxy-6-methoxy-2-methylisoindole-1,3-dione has a molecular weight of 207.19 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-methoxy-2-methylisoindole-1,3-dione is sourced from PubChem (CID 641801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).