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Basic information
- CAS
61828-53-3- Standard SMILES
O=c1cc(CCc2ccccc2)oc2ccccc12- InChIKey
VNZNWFQJBFLELF-UHFFFAOYSA-N- Molecular formula
- C17H14O2
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.09937969
Overview
2-(2-phenylethyl)chromone is a member of the class of chromones that is chromone which is substituted by a 2-phenylethyl group at position 2. It is found in agarwood, a fragrant resinous heartwood obtained from certain trees in the genus Aquilaria. It has a role as a plant metabolite. It is a member of benzenes and a member of chromones. It is functionally related to a chromone.
Names & identifiers
- Preferred name
- 2-(2-Phenylethyl)chromone
- IUPAC
- 2-(2-phenylethyl)chromen-4-one
- English name
- 2-(2-phenylethyl)chromone
- Molecular formula
- C17H14O2
- Molecular weight
- 250.29
Names & synonyms
2-(2-Phenylethyl)chromone61828-53-3Flindersiachromone2-(2-phenylethyl)chromen-4-oneCHEBI:5092DTXSID90210818RefChem:909171DTXCID201333092-Phenethyl-4H-chromen-4-oneflidersiachromone2-(2-phenylethyl)-4H-chromen-4-one4H-1-Benzopyran-4-one, 2-(2-phenylethyl)-
Show more names
2-Phenethyl-4H-1-benzopyran-4-one2-(2-Phenylethyl)chromone, 10 mM in DMSO
2-PHENETHYLCHROMONEChromone, 2-(2-phenylethyl)2-(2-phenylethyl)-4H-1-benzopyran-4-one2-phenethylchromen-4-one2-(2-Phenylethyl) chromoneCHEMBL481060orb1297142SCHEMBL5826185
Database identifiers
- CAS
61828-53-3- PubChem CID
- 441964
- DTXSID
DTXSID90210818- ChEMBL
CHEMBL481060- ChEBI
CHEBI:5092- Nikkaji
- J19.454I
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Melting point
- 90 · 90-91 °C(Solv: ligroine (8032-32-4); ethyl ether (60-29-7))
- Boiling point
- 393.1 · 393.1±42.0 °C(Predicted)
- Density
- 1.173 · 1.173±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- Solid
- color
- Off-white to gray
- LogP
- 2.933 · 2.933 (est)
Chemistry & industry
Applications
Uses2-(2-Phenylethyl)chromone (Flidersiachromone) is one of 2-(2-phenylethyl)chromones that can be found in Chinese eaglewood from Aquilaria sinensis[1].
Upstream & downstream products
Upstream raw materials
Suppliers59 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
Related reactions
1 records
Compound notes
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