Basic information
- CAS
38237-68-2- Standard SMILES
Cc1cc(O)c([C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1C- InChIKey
RNRHMQWZFJXKLZ-DHSIGJKJSA-N- Molecular formula
- C18H26O
- Average molar mass
- 258.4 g/mol
- Monoisotopic mass
- 258.19836545
Overview
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Names & identifiers
- Preferred name
- 4,5-Dimethyl-2-[(1r,2r,4s)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]phenol
- IUPAC
- 4,5-dimethyl-2-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
Names & synonyms
38237-68-24,5-dimethyl-2-[(1r,2r,4s)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]phenolEINECS 253-847-5DTXSID50275908RNRHMQWZFJXKLZ-DHSIGJKJSA-N4,5-DIMETHYL-2-[(1R,2R,4S)-1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL]PHENOLNS00125059endo-2-(1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl)-4,5-xylenol
Database identifiers
- CAS
38237-68-2、40283-42-9- PubChem CID
- 93201
- DTXSID
DTXSID50275908- EC Number
- 253-847-5
- Nikkaji
- J291.054C
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 361
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
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Compound notes
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