2,4-Bis(1-Phenylethyl)Phenol
PubChem CID: 102877
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| Compound Synonyms | 2,4-Bis(1-phenylethyl)phenol, 2769-94-0, Phenol, 2,4-bis(1-phenylethyl)-, UNII-8Q3R0CBD0S, 8Q3R0CBD0S, Phenol, bis(1-phenylethyl)-, EINECS 220-460-8, AI3-08264, DTXSID50863021, 2,4-DI(1-PHENYLETHYL)PHENOL, 2,4-BIS(1-METHYLBENZYL)PHENOL, Phenol, 2,4-bis(.alpha.-methylbenzyl)-, J166.879J, 2,4-BIS(.ALPHA.-METHYLBENZYL)PHENOL, 25640-70-4, 2,4-bis-(1-Phenylethyl)phenol, Bis(1-phenylethyl)phenol, EINECS 247-154-7, UNII-F6O029662Y, CHEMBL252313, SCHEMBL9081257, 2,4-di-(1-phenylethyl)phenol, DTXCID10811705, 2,4-Bis(1-phenylethyl)phenol #, 2,4-di-(alpha-methylbenzyl)phenol, AKOS025296200, F6O029662Y, 2,4-BIS(ALPHA-METHYLBENZYL)PHENOL, DB-313075, NS00048450, PHENOL, 2,4-BIS(ALPHA-METHYLBENZYL)-, EN300-19074989, Q27270882, Z2574928183, 220-460-8 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 340.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,4-bis(1-phenylethyl)phenol |
| Prediction Hob | 1.0 |
| Xlogp | 6.1 |
| Molecular Formula | C22H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | RCFAHSGZAAFQJH-UHFFFAOYSA-N |
| Fcsp3 | 0.1818181818181818 |
| Logs | -6.108 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.278 |
| Compound Name | 2,4-Bis(1-Phenylethyl)Phenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 302.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 302.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 302.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.854215834782609 |
| Inchi | InChI=1S/C22H22O/c1-16(18-9-5-3-6-10-18)20-13-14-22(23)21(15-20)17(2)19-11-7-4-8-12-19/h3-17,23H,1-2H3 |
| Smiles | CC(C1=CC=CC=C1)C2=CC(=C(C=C2)O)C(C)C3=CC=CC=C3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
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