Basic information
- CAS
23911-85-5- Standard SMILES
O=C(c1ccccc1)c1ccc(OCC(O)COc2ccc(C(=O)c3ccccc3)c(O)c2)cc1O- InChIKey
VZYBFCDYFROPPK-UHFFFAOYSA-N- Molecular formula
- C29H24O7
- Average molar mass
- 484.5 g/mol
- Monoisotopic mass
- 484.15220311
Overview
See other relationships...
Names & identifiers
- Preferred name
- 2,2''-Dihydroxy-4,4''-(2-hydroxy-propane-1,3-diyldioxy)dibenzophenone
- IUPAC
- [4-[3-(4-benzoyl-3-hydroxyphenoxy)-2-hydroxypropoxy]-2-hydroxyphenyl]-phenylmethanone
- English name
- 2,2"-Dihydroxy-4,4"-2(hydroxypropane-1,3-diyldioxy)dibenzophenone
- Molecular formula
- C29H24O7
- Molecular weight
- 484.5
Names & synonyms
EC 424-210-02,2''-dihydroxy-4,4''-(2-hydroxy-propane-1,3-diyldioxy)dibenzophenoneRefChem:439967424-210-023911-85-51,3-Bis(4-benzoyl-3-hydroxyphenoxy)-2-propanol[4-[3-(4-benzoyl-3-hydroxyphenoxy)-2-hydroxypropoxy]-2-hydroxyphenyl]-phenylmethanoneCHEMBL179185[4-[3-(4-benzoyl-3-hydroxy-phenoxy)-2-hydroxy-propoxy]-2-hydroxy-phenyl]-phenyl-methanone{4-[3-(4-Benzoyl-3-hydroxy-phenoxy)-2-hydroxy-propoxy]-2-hydroxy-phenyl}-phenyl-methanoneOprea1_610677SCHEMBL9208030
Show more names
2,2"-Dihydroxy-4,4"-2(hydroxypropane-1,3-diyldioxy)dibenzophenoneMethanone, [(2-hydroxy-1,3-propanediyl)bis[oxy(2-hydroxy-4,1-phenylene)]]bis[phenyl-(((2-hydroxypropane-1,3-diyl)bis(oxy))bis(2-hydroxy-4,1-phenylene))bis(phenylmethanone)Methanone, 1,1'-[(2-hydroxy-1,3-propanediyl)bis[oxy(2-hydroxy-4,1-phenylene)]]bis[phenyl-
SCHEMBL30069001DTXSID20361327BDBM50162340AKOS024273477ST000254NS000777111,3-bis-(3-hydroxy-4-benzoylphenoxy)-2-propanol1,3-bis-(4-benzoyl-3-hydroxyphenoxy)-2-propanol
Database identifiers
- CAS
23911-85-5- PubChem CID
- 1242235
- DTXSID
DTXSID20361327- ChEMBL
CHEMBL179185- EC Number
- 424-210-0
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 642
Physicochemical properties
- Hazard statements
- 413 · H413
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 1 notifications to the ECHA C&L Inventory.
H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Hazard information
Regulatory InformationStatus: Active Update: 04-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13490
Hazard Classes and Categories
Aquatic Chronic 4 (100%)
Hazardous to the aquatic environment (chronic) - category 4
Aquatic Chronic 4
Safety data
- Hazard statements
- H413
- REACH Registrations
- Active
Chemistry & industry
Suppliers4 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
上海韶屹生物科技有限公司21-21-31590156 13042155638 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
7 records
Compound notes
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