8-Hydroxy-7-methoxy-2H-1-benzopyran-2-one
Basic information
- CAS
19492-03-6- Standard SMILES
COc1ccc2ccc(=O)oc2c1O- InChIKey
KIGCGZUAVODHMD-UHFFFAOYSA-N- Molecular formula
- C10H8O4
- Average molar mass
- 192.17 g/mol
- Monoisotopic mass
- 192.04225873
Overview
8-Hydroxy-7-methoxy-2H-1-benzopyran-2-one is a hydroxycoumarin.
Names & identifiers
- Preferred name
- 8-Hydroxy-7-methoxy-2H-1-benzopyran-2-one
- IUPAC
- 8-hydroxy-7-methoxychromen-2-one
- English name
- 8-Hydroxy-7-methoxycoumarin
- Molecular formula
- C10H8O4
- Molecular weight
- 192.17
Names & synonyms
19492-03-68-hydroxy-7-methoxy-2H-chromen-2-oneDaphnetin-7-methylether8-Hydroxy-7-methoxy-2H-1-benzopyran-2-one2H-1-Benzopyran-2-one, 8-hydroxy-7-methoxy-DTXSID00173142RefChem:914577DTXCID40956338-Hydroxy-7-methoxycoumarinDaphnetin 7-methyl ether8-hydroxy-7-methoxychromen-2-oneHerniarin, 8-hydroxy-
Show more names
DAPHNETIN METHYL ETHER7-Methoxy-8-hydroxy-2H-1-benzopyran-2-one
Daphnetin-7-methyl etherMFCD000756527-methoxy-8-hydroxycoumarinH43B8D33LBDAPHNETIN 7-METHYL ETHECHEMBL47796458-Hydroxy-7-methoxy-chromen-2-oneCoumarin Impurity 3
Database identifiers
- CAS
19492-03-6- PubChem CID
- 146487
- DTXSID
DTXSID00173142- ChEMBL
CHEMBL4779645- ChEBI
CHEBI:173919- UNII
- H43B8D33LB
- EC Number
- 681-517-4
- Nikkaji
- J82.870J
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 261
Experimental & physicochemical properties
Melting Point173 - 174 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 176 °C · 176°C
- Boiling point
- 381.9 · 381.9±42.0 °C(Predicted)
- Density
- 1.377 · 1.377
- pka
- 7.78 · 7.78±0.20(Predicted)
- BRN
- 168393 · 168393
- LogP
- 0.62 · 0.620 (est)
- FDA UNII
- 43 B8D33LB · H43B8D33LB
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 g-P305+P351+P338 · P280g-P305+P351+P338
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- hs_code
- 2932209090
- risk_code
- 36/37/38
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280g-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
Uses8-Hydroxy-7-methoxycoumarin is a phenylpropanoid isolated from the calyxes of Physalis alkekengi L. var. franchetii (Mast.) Makino. 8-Hydroxy-7-methoxycoumarin shows cytotoxicity against GLC4 and COLO 320 cancer cell after continuous incubation (4 days) with IC50s of 179 μM and 145 μM[1][2].
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: 8-Hydroxy-7-methoxy-2H-1-benzopyran-2-one is a hydroxycoumarin.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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