Cas no 80200-06-2 (Phenol, 4-[2-(1H-imidazol-1-yl)ethyl]-)
80200-06-2 structure
Product Name:Phenol, 4-[2-(1H-imidazol-1-yl)ethyl]-
CAS No:80200-06-2
MF:C11H12N2O
MW:188.225782394409
CID:706086
PubChem ID:20205277
Update Time:2025-04-19
Phenol, 4-[2-(1H-imidazol-1-yl)ethyl]- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 4-[2-(1H-imidazol-1-yl)ethyl]-
- 4-(2-imidazol-1-ylethyl)phenol
- SCHEMBL10788342
- 80200-06-2
- 4-[2-(1H-Imidazol-1-yl)ethyl]phenol
- DTXSID90603529
-
- Inchi: 1S/C11H12N2O/c14-11-3-1-10(2-4-11)5-7-13-8-6-12-9-13/h1-4,6,8-9,14H,5,7H2
- InChI Key: GNEGQWVZASEYDC-UHFFFAOYSA-N
- SMILES: OC1C=CC(=CC=1)CCN1C=NC=C1
Computed Properties
- Exact Mass: 188.094963011g/mol
- Monoisotopic Mass: 188.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 167
- 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: 1.5
- Topological Polar Surface Area: 38?2
Phenol, 4-[2-(1H-imidazol-1-yl)ethyl]- Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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