6-hydroxy-5-methoxy-2,3-dihydro-1H-inden-1-one

HCID 233148CAS 90843-62-2

Substructure search Find similar structures

Basic information

Standard SMILES: COc1cc2c(cc1O)C(=O)CC2
InChIKey: FEUMSMHGLKFCLZ-UHFFFAOYSA-N
Molecular formula: C10H10O3
Average molar mass: 178.18 g/mol
Monoisotopic mass: 178.06299418

Names & identifiers

Preferred name: 6-hydroxy-5-methoxy-2,3-dihydro-1H-inden-1-one
IUPAC: 6-hydroxy-5-methoxy-2,3-dihydroinden-1-one
English name: 6-Hydroxy-5-methoxy-1-indanone
Molecular formula: C10H10O3
Molecular weight: 178.18

Names & synonyms

6-hydroxy-5-methoxy-2,3-dihydro-1h-inden-1-oneRefChem:543408103-774-96-hydroxy-5-methoxy-1-indanone90843-62-26-hydroxy-5-methoxy-2,3-dihydroinden-1-oneMFCD08694213CHEMBL20430476-Hydroxy-5-methoxy-indan-1-one1H-Inden-1-one, 2,3-dihydro-6-hydroxy-5-methoxy-NSC31250JLK4EG6PQ7

Show more names

NSC 3125NSC 31250Donepezil-022Donepezil Impurity 38Donepezil impurity 23/6-Hydroxy-5-methoxy-1-indanone

6-hydroxy-5-methoxyindanone2,3-Dihydro-6-hydroxy-5-methoxy-1H-inden-1-oneSCHEMBL662848DTXSID30283405FEUMSMHGLKFCLZ-UHFFFAOYSA-NQDA843621-Indanone, 6-hydroxy-5-methoxy-BDBM50386066

Database identifiers

CAS: 90843-62-2
PubChem CID: 233148
DTXSID: DTXSID30283405
ChEMBL: CHEMBL2043047
UNII: JLK4EG6PQ7
EC Number: 103-774-9

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 214

Physicochemical properties

Melting point: 194 °C · 194 °C(Solv: water (7732-18-5))
Boiling point: 378.7 · 378.7±42.0 °C(Predicted)
Density: 1.296 · 1.296±0.06 g/cm3(Predicted)
solubility: Acetone, Dichloromethane, Methanol
form: Solid
pka: 9.47 · 9.47±0.20(Predicted)
color: Light-Brown
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.