Basic information
- CAS
30359-02-5- Standard SMILES
COc1ccc(C2CCCC(CCc3ccc(O)cc3)O2)cc1- InChIKey
VKLGDLFSGNHXAV-UHFFFAOYSA-N- Molecular formula
- C20H24O3
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.17254462
Names & identifiers
- Preferred name
- d-Centrolobine
- IUPAC
- 4-[2-[6-(4-methoxyphenyl)oxan-2-yl]ethyl]phenol
Names & synonyms
d-CentrolobineDTXSID5031975030359-02-5RefChem:336467DTXCID10270873SCHEMBL29710672NSC350083NSC-3500834-{2-[6-(4-METHOXYPHENYL)OXAN-2-YL]ETHYL}PHENOL
Database identifiers
- CAS
30359-02-5- PubChem CID
- 336325
- DTXSID
DTXSID50319750
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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