Identifikatoren & physikalische Daten
| CAS No. | 5635-50-7 |
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| Summenformel | C18H22O2 |
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| Durchschnittliche Molmasse | 270,4 g/mol |
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| Monoisotopische Masse | 270,16197994 g/mol |
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| SMILES | CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1 |
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| InChIKey | PBBGSZCBWVPOOL-UHFFFAOYSA-N |
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| PubChem CID | 3606 |
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| ChEMBL | CHEMBL6615 |
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| ChEBI | CHEBI:31669 |
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| DTXSID | DTXSID30859129 |
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Chemische & physikalische Eigenschaften
| XLogP | 5,2 |
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| Polarare Oberfläche (TPSA) | 40,5 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 5 |
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| Schwere Atome | 20 |
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| Formalladung | 0 |
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| Komplexität | 235 |
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| SpringerMaterials Properties | Diamagnetic susceptibility |
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| Endocrine Disruptors | Potential endocrine disrupting compound |
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| Collision Cross Section | 164.14 Ų [M+K]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
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