4H-1-Benzopyran-4-one, 6-methoxy-2-(2-phenylethyl)-
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Basic information
- CAS
84294-89-3- Standard SMILES
COc1ccc2oc(CCc3ccccc3)cc(=O)c2c1- InChIKey
JOYYVGVYUHRBAE-UHFFFAOYSA-N- Molecular formula
- C18H16O3
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.10994437
Overview
4H-1-Benzopyran-4-one, 6-methoxy-2-(2-phenylethyl)- has been reported in Aquilaria sinensis with data available.
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 6-methoxy-2-(2-phenylethyl)-
- IUPAC
- 6-methoxy-2-(2-phenylethyl)chromen-4-one
- English name
- 4H-1-Benzopyran-4-one, 6-methoxy-2-(2-phenylethyl)-
- Molecular formula
- C18H16O3
- Molecular weight
- 280.32
Names & synonyms
84294-89-34H-1-Benzopyran-4-one, 6-methoxy-2-(2-phenylethyl)-6-METHOXY-2-(2-PHENYLETHYL)CHROMEN-4-ONEDTXSID40415755RefChem:1071854DTXCID103666046-Methoxy-2-(2-phenylethyl)chromone6-Methoxy-2-phenethyl-4H-chromen-4-oneCHEMBL44532546-methoxy-2-(2-phenylethyl)-4H-chromen-4-one6-Methoxy-2-(2-phenylethyl) chromone6-METHOXY-2-PHENETHYLCHROMONE
Show more names
orb1941508SCHEMBL27953584SCHEMBL30335871JOYYVGVYUHRBAE-UHFFFAOYSA-NBDBM50508712HY-N122856-methoxy-2-(2-phenyleyhyl)chromoneDA-49939
Database identifiers
- CAS
84294-89-3- PubChem CID
- 5319482
- DTXSID
DTXSID40415755- ChEMBL
CHEMBL4453254- Nikkaji
- J47.729J
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- Melting point
- 84 · 84-85 °C(Solv: ligroine (8032-32-4); ethyl ether (60-29-7))
- Boiling point
- 443.8 · 443.8±45.0 °C(Predicted)
- Density
- 1.18 · 1.180±0.06 g/cm3(Predicted)
Chemistry & industry
Applications
Uses6-Methoxy-2-(2-phenylethyl)chromone (compound 9) is a 2-(2-phenylethyl)chromone (2-(2-phenylethyl)-4H-1-benzopyran-4- one) derivative[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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