Basic information
- CAS
24532-21-6- Standard SMILES
O=C(C=Cc1ccccc1)c1ccc(OCc2ccccc2)cc1O- InChIKey
KPEOHUHJHWKEQL-UHFFFAOYSA-N- Molecular formula
- C22H18O3
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.12559443
Names & identifiers
- Preferred name
- 2-Propen-1-one, 1-[2-hydroxy-4-(phenylmethoxy)phenyl]-3-phenyl-
- IUPAC
- 1-(2-hydroxy-4-phenylmethoxyphenyl)-3-phenylprop-2-en-1-one
- English name
- 1-[4-(Benzyloxy)-2-hydroxyphenyl]-3-phenylprop-2-en-1-one
- Molecular formula
- C22H18O3
- Molecular weight
- 330.38
Names & synonyms
24532-21-62-Propen-1-one, 1-[2-hydroxy-4-(phenylmethoxy)phenyl]-3-phenyl-1-(2-hydroxy-4-phenylmethoxyphenyl)-3-phenylprop-2-en-1-one1-[4-(Benzyloxy)-2-hydroxyphenyl]-3-phenylprop-2-en-1-oneSCHEMBL10829591DTXSID60380714KPEOHUHJHWKEQL-UHFFFAOYSA-N3-Oxo-1-phenyl-3-(2'-hydroxy-4 -benzyloxyphenyl)-propene1-[4-(benzyloxy)-2-hydroxyphenyl]-3-phenyl-2-propen-1-one
Database identifiers
- CAS
24532-21-6- PubChem CID
- 2777924
- DTXSID
DTXSID60380714
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 433
Physicochemical properties
- Hazard Codes
- Xi
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers6 total
Ryan Scientific, Inc.[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
SYNQUEST[email protected]
深圳爱拓化学有限公司0755- 33239182 · [email protected]
APOLLO-NMR[email protected]
Related reactions
1 records
Compound notes
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