Phenol, 2-methoxy-6-[(1R,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]-, rel-
Basic information
- CAS
13746-60-6- Standard SMILES
COc1cccc([C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)c1O- InChIKey
YPUMYHHWYPOEPH-XTQGRXLLSA-N- Molecular formula
- C17H24O2
- Average molar mass
- 260.4 g/mol
- Monoisotopic mass
- 260.17763
Names & identifiers
- Preferred name
- Phenol, 2-methoxy-6-[(1R,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]-, rel-
- IUPAC
- 2-methoxy-6-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
Names & synonyms
2-METHOXY-6-[(1R,2S,4S)-1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL]PHENOLPhenol, 2-methoxy-6-[(1R,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]-, rel-13746-60-6DTXSID60884641YPUMYHHWYPOEPH-XTQGRXLLSA-N
Database identifiers
- CAS
13746-60-6- PubChem CID
- 1785998
- DTXSID
DTXSID60884641- EC Number
- 237-321-2
- Nikkaji
- J277.921H
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 351
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2-methoxy-6-[(1R,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]-, rel-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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