Cas no 3864-15-1 (Benzeneethanol, a-(3,4-dimethoxyphenyl)-)
3864-15-1 structure
Product Name:Benzeneethanol, a-(3,4-dimethoxyphenyl)-
CAS No:3864-15-1
MF:C16H18O3
MW:258.312325000763
CID:1491097
PubChem ID:12578659
Update Time:2025-04-21
Benzeneethanol, a-(3,4-dimethoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneethanol, a-(3,4-dimethoxyphenyl)-
- 1-(3,4-Dimethoxyphenyl)-2-phenylethanol
- SCHEMBL7042336
- 1-(3,4-dimethoxyphenyl)-2-phenyl-ethanol
- benzeneethanol,a-(3,4-dimethoxyphenyl)-
- 3864-15-1
-
- Inchi： 1S/C16H18O3/c1-18-15-9-8-13(11-16(15)19-2)14(17)10-12-6-4-3-5-7-12/h3-9,11,14,17H,10H2,1-2H3
- InChI Key： WXHBSAGAWAUWGM-UHFFFAOYSA-N
- SMILES： OC(C1C=CC(=C(C=1)OC)OC)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 258.12564
- Monoisotopic Mass: 258.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 250
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- PSA: 38.69
Benzeneethanol, a-(3,4-dimethoxyphenyl)- Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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