Cas no 524746-06-3 (Phenol, 4-[(4-ethyl-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]- (9CI))
![Phenol, 4-[(4-ethyl-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]- (9CI) structure](https://ossimg.kuujia.com/scimg/525000/524746-06-3x500.png)
524746-06-3 structure
Product Name:Phenol, 4-[(4-ethyl-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]- (9CI)
CAS No:524746-06-3
MF:C15H17NO
MW:227.301584005356
CID:936965
PubChem ID:135534519
Update Time:2025-04-19
Phenol, 4-[(4-ethyl-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Phenol, 4-[(4-ethyl-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]- (9CI)
- 4-((4-Ethyl-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl)phenol
- 524746-06-3
-
- Inchi： 1S/C15H17NO/c1-4-14-10(2)15(16-11(14)3)9-12-5-7-13(17)8-6-12/h5-9,17H,4H2,1-3H3/b15-9-
- InChI Key： HCGSNSFXQIWHPR-DHDCSXOGSA-N
- SMILES： OC1C=CC(=CC=1)/C=C1/C(C)=C(C(C)=N/1)CC
Computed Properties
- Exact Mass: 227.13100
- Monoisotopic Mass: 227.131014166g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 382
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 32.6?2
Experimental Properties
- PSA: 32.59000
- LogP: 3.36970
Phenol, 4-[(4-ethyl-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]- (9CI) Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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