Basic information
- CAS
479-21-0- Standard SMILES
COc1cc(O)c(C(=O)c2ccccc2)c(O)c1- InChIKey
HNJZOHHIXSIJFG-UHFFFAOYSA-N- Molecular formula
- C14H12O4
- Average molar mass
- 244.24 g/mol
- Monoisotopic mass
- 244.07355886
Names & identifiers
- Preferred name
- Cotoin
- IUPAC
- (2,6-dihydroxy-4-methoxyphenyl)-phenylmethanone
- English name
- cotoin
- Molecular formula
- C14H12O4
- Molecular weight
- 244.24
Names & synonyms
Cotoin(2,6-dihydroxy-4-methoxyphenyl)-phenylmethanone2,6-Dihydroxy-4-methoxybenzophenone(2,6-Dihydroxy-4-methoxyphenyl)phenylmethanoneUNII-Z8618Z93DABRN 1981817Z8618Z93DACOTOIN [MI]Monomethyl ether of 2,4,6-trihydroxybenzophenoneMonomethylaether der 2,4,6-trioxybenzophenon [German]Monomethylaether der 2,4,6-trioxybenzophenonDTXSID20197320
Show more names
KolmosideCotoin, 10 mM in DMSO
BENZOPHENONE, 2,6-DIHYDROXY-4-METHOXY-4-08-00-03163 (Beilstein Handbook Reference)Methanone, (2,6-dihydroxy-4-methoxyphenyl)phenyl-RefChem:128212DTXCID30119811Methanone, (2,6-dihydroxy-4-methoxyphenyl)phenyl-(9CI)479-21-0(2,6-dihydroxy-4-methoxyphenyl)(phenyl)methanone
Database identifiers
- CAS
479-21-0- PubChem CID
- 10175
- DTXSID
DTXSID20197320- UNII
- Z8618Z93DA
- Nikkaji
- J6.155G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Melting point
- 131 · 131-132°
- Boiling point
- 347.16 °C · 347.16°C (rough estimate)
- Density
- 1.2379 · 1.2379 (rough estimate)
- refractive index
- 1.5389 · 1.5389 (estimate)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 7 · 7.00±0.40(Predicted)
- CAS DataBase Reference
- 479 · 479-21-0
- FDA UNII
- 8618 Z93DA · Z8618Z93DA
- Toxicity
- 8 mg/kg · LD s.c. in frogs: 8 mg/kg (Jodbauer, Kurz)
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
- Toxicity
- LD s.c. in frogs: 8 mg/kg (Jodbauer, Kurz)
Chemistry & industry
Applications
UsesCotoin is a natural product isolated from the stem bark of Garcinia virgate[1].
Preparation methods
PreparationObtained by reaction of benzonitrile with phloroglucinol monomethyl ether (Hoesch reaction).
Suppliers51 total
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
上海冬洋生物科技有限公司0512-13601744364 13601744364 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
云南西力生物技术股份有限公司
Related reactions
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Compound notes
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