7-Hydroxy-4-phenyl-3-(4-hydroxyphenyl)coumarin
Basic information
- CAS
100242-24-8- Standard SMILES
O=c1oc2cc(O)ccc2c(-c2ccccc2)c1-c1ccc(O)cc1- InChIKey
MLAIPUZEKYJFIL-UHFFFAOYSA-N- Molecular formula
- C21H14O4
- Average molar mass
- 330.3 g/mol
- Monoisotopic mass
- 330.08920892
Names & identifiers
- Preferred name
- 7-Hydroxy-4-phenyl-3-(4-hydroxyphenyl)coumarin
- IUPAC
- 7-hydroxy-3-(4-hydroxyphenyl)-4-phenylchromen-2-one
- English name
- 7-hydroxy-4-phenyl-3-(4-hydroxyphenyl)coumarin
- Molecular formula
- C21H14O4
- Molecular weight
- 330.33
Names & synonyms
100242-24-87-Hydroxy-4-phenyl-3-(4-hydroxyphenyl)coumarinL0UVB1J49IDTXSID90143051HPHPCRefChem:106153DTXCID70655427-hydroxy-3-(4-hydroxyphenyl)-4-phenylchromen-2-one2H-1-Benzopyran-2-one, 7-hydroxy-3-(4-hydroxyphenyl)-4-phenyl-OV(sub 1)7-HYDROXY-3-(4-HYDROXYPHENYL)-4-PHENYL-2H-1-BENZOPYRAN-2-ONEUNII-L0UVB1J49I
Show more names
Coumarin, 7-hydroxy-3-(p-hydroxyphenyl)-4-phenyl-SCHEMBL3366067CHEMBL31144417-HYDROXY-3-(4'-HYDROXYPHENYL)-4-PHENYLCOUMARIN
Database identifiers
- CAS
100242-24-8- PubChem CID
- 5487069
- DTXSID
DTXSID90143051- ChEMBL
CHEMBL3114441- UNII
- L0UVB1J49I
- Nikkaji
- J2.065.450C
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 526
Physicochemical properties
- Boiling point
- 427.78 °C · 427.78°C (rough estimate)
- Density
- 1.2066 · 1.2066 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- 7.74 · 7.74±0.20(Predicted)
- FDA UNII
- 0 UVB1J49I · L0UVB1J49I
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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