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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