Basic information
- CAS
3550-43-4- Standard SMILES
CCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1- InChIKey
HRFNCVKOUIZYTL-UHFFFAOYSA-N- Molecular formula
- C20H24O3
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.17254462
Overview
See also: Methanone, (4-(heptyloxy)-2-hydroxyphenyl)phenyl- (annotation moved to).
Names & identifiers
- Preferred name
- 2-Hydroxyhept-4-oxybenzophenone
- IUPAC
- (4-heptoxy-2-hydroxyphenyl)-phenylmethanone
- English name
- 2-hydroxyhept-4-oxybenzophenone
- Molecular formula
- C20H24O3
- Molecular weight
- 0
Names & synonyms
3550-43-4[4-(heptyloxy)-2-hydroxyphenyl](phenyl)methanone(4-(HEPTYLOXY)-2-HYDROXYPHENYL)(PHENYL)METHANONE2-Hydroxyhept-4-oxybenzophenoneEINECS 222-605-0SCHEMBL2805631SCHEMBL31289243DTXSID90956901HRFNCVKOUIZYTL-UHFFFAOYSA-NAKOS0243446614-heptyloxy-2-hydroxyphenyl phenyl ketoneNS00048429
Show more names
2-Hydroxy-4-heptyloxybenzophenone
ST50564847[4-(heptyloxy)-2-hydroxyphenyl]phenylmethanone
Database identifiers
- CAS
3550-43-4- PubChem CID
- 77090
- DTXSID
DTXSID90956901- EC Number
- 222-605-0
- Nikkaji
- J56.233E
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 336
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 40 °C · 40°C
Chemistry & industry
Preparation methods
PreparationObtained by reaction of n-heptyl bromide with resbenzophenone, in the presence of potassium hydroxide in dilute ethanol at 85–95° for 22 h (13%); in the presence of potassium carbonate in refluxing acetone for 20 h.
Suppliers1 total
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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