3,5-diphenyl-4H-pyran-4-one

HCID 282189
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Basic information

CAS
18357-38-5
Standard SMILES
O=c1c(-c2ccccc2)cocc1-c1ccccc1
InChIKey
JOTAMMMRYKLWBB-UHFFFAOYSA-N
Molecular formula
C17H12O2
Average molar mass
248.27 g/mol
Monoisotopic mass
248.08372962

Names & identifiers

Preferred name
3,5-diphenyl-4H-pyran-4-one
IUPAC
3,5-diphenylpyran-4-one

Names & synonyms

3,5-diphenyl-4H-pyran-4-one18357-38-5MLS0029202793,5-diphenylpyran-4-oneNSC1353733,5-diphenyl-4-pyrone3,5-diphenyl-pyran-4-oneCHEMBL2143881SCHEMBL11434251DTXSID90300208JOTAMMMRYKLWBB-UHFFFAOYSA-NAKOS022187803
Show more names
NSC-135373SMR001797875

Database identifiers

CAS
18357-38-5
PubChem CID
282189
DTXSID
DTXSID90300208
ChEMBL
CHEMBL2143881
EC Number
105-746-1
Nikkaji
J2.050.752G

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
19

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Related reactions

4 records
New reaction record

Compound notes

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