3-(4-Methoxyphenyl)-2,4,5-triphenyl-2,4-cyclopentadien-1-one
Basic information
- CAS
65648-91-1- Standard SMILES
COc1ccc(C2=C(c3ccccc3)C(=O)C(c3ccccc3)=C2c2ccccc2)cc1- InChIKey
MRIYNLXCRJKRPA-UHFFFAOYSA-N- Molecular formula
- C30H22O2
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.16197994
Names & identifiers
- Preferred name
- 3-(4-Methoxyphenyl)-2,4,5-triphenyl-2,4-cyclopentadien-1-one
- IUPAC
- 3-(4-methoxyphenyl)-2,4,5-triphenylcyclopenta-2,4-dien-1-one
- English name
- 3-(4-Methoxyphenyl)-2,4,5-triphenylcyclopentadienone
- Molecular formula
- C30H22O2
- Molecular weight
- 414.49
Names & synonyms
3-(4-Methoxyphenyl)-2,4,5-triphenyl-2,4-cyclopentadien-1-one65648-91-1Z62G7OX9J7UNII-Z62G7OX9J7NSC 75898NSC-75898DTXSID102158852,4-Cyclopentadien-1-one, 3-(4-methoxyphenyl)-2,4,5-triphenyl-RefChem:92467DTXCID40138376NSC758983-(4-methoxyphenyl)-2,4,5-triphenylcyclopenta-2,4-dien-1-one
Show more names
3-(4-Methoxyphenyl)-2,4,5-triphenylcyclopentadienone
AKOS0244295063-(p-methoxyphenyl)-2,4,5-triphenylcyclopentadi-eneone3-(4-methoxyphenyl)-2,4,5-triphenyl-cyclopenta-2,4-dien-1-one
Database identifiers
- CAS
65648-91-1- PubChem CID
- 253240
- DTXSID
DTXSID10215885- UNII
- Z62G7OX9J7
- EC Number
- 636-253-4
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 718
Physicochemical properties
- Boiling point
- 642.9 · 642.9±55.0 °C(Predicted)
- Density
- 1.203 · 1.203±0.06 g/cm3(Predicted)
- FDA UNII
- 62 G7OX9J7 · Z62G7OX9J7
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 413 · H413-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H413-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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