Cas no 5472-27-5 (Benzeneethanol, a-phenyl-a-(phenylmethyl)-)
5472-27-5 structure
Product Name:Benzeneethanol, a-phenyl-a-(phenylmethyl)-
Benzeneethanol, a-phenyl-a-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneethanol, a-phenyl-a-(phenylmethyl)-
- 1,2,3-triphenylpropan-2-ol
- 1,2,3-triphenyl-2-propanol
- 1,2,3-triphenyl-propan-2-ol
- 2-Hydroxy-1.2.3-triphenyl-propan
- AC1L5LWB
- AC1Q76YW
- CTK5A2437
- NCIStruc1_000414
- NCIStruc2_000605
- NSC27932
- Phenyl-dibenzyl-carbinol
- DTXSID70282770
- 5472-27-5
- NSC-27932
- NCGC00013344
- NCGC00096461-01
- NCI60_002272
- NSC 27932
- CHEMBL1410910
- NCGC00013344-02
- NCI27932
- CCG-38055
-
- Inchi: 1S/C21H20O/c22-21(20-14-8-3-9-15-20,16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15,22H,16-17H2
- InChI Key: LPKALOWBSKZKPT-UHFFFAOYSA-N
- SMILES: OC(C1C=CC=CC=1)(CC1C=CC=CC=1)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 288.1515
- Monoisotopic Mass: 288.151415257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 22
- Rotatable Bond Count: 5
- Complexity: 286
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.8
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
- LogP: 4.35960
Benzeneethanol, a-phenyl-a-(phenylmethyl)- Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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