Cas no 36868-37-8 (Phenol, 2-methoxy-5-(2-phenylethyl)-)
36868-37-8 structure
Product Name:Phenol, 2-methoxy-5-(2-phenylethyl)-
CAS No:36868-37-8
MF:C15H16O2
MW:228.286344528198
CID:1479617
PubChem ID:13939146
Update Time:2025-04-21
Phenol, 2-methoxy-5-(2-phenylethyl)- Chemical and Physical Properties
Names and Identifiers
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- Phenol, 2-methoxy-5-(2-phenylethyl)-
- 2-methoxy-5-(2-phenylethyl)phenol
- DTXSID00552913
- CHEMBL447998
- 36868-37-8
- 3-Hydroxy-4-methoxybibenzyl
-
- Inchi： 1S/C15H16O2/c1-17-15-10-9-13(11-14(15)16)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3
- InChI Key： MFBFJSQTXYOUAV-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC(=CC=1O)CCC1C=CC=CC=1
Computed Properties
- Exact Mass: 228.11508
- Monoisotopic Mass: 228.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 211
- 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: 3.1
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.46
Phenol, 2-methoxy-5-(2-phenylethyl)- Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Xiuxia Yang,Lei Zhao,Zhichao Liu,Shuyu Tian,Hao Zhang,Xuhui Xu,Jianbei Qiu,Xue Yu Phys. Chem. Chem. Phys., 2020,22, 16294-16300
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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