Cas no 881201-77-0 (4-(4-Ethyl-4-methylhexan-2-yl)phenol)
881201-77-0 structure
Product Name:4-(4-Ethyl-4-methylhexan-2-yl)phenol
CAS No:881201-77-0
MF:C15H24O
MW:220.350464820862
CID:2811271
PubChem ID:71405321
Update Time:2025-04-21
4-(4-Ethyl-4-methylhexan-2-yl)phenol Chemical and Physical Properties
Names and Identifiers
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- DTXCID60776714
- 881201-77-0
- 4-(4-Ethyl-4-methylhexan-2-yl)phenol
- QLDVQVUZFJJLEA-UHFFFAOYSA-N
- DTXSID00825972
- Phenol, 4-(3-ethyl-1,3-dimethylpentyl)
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- Inchi： 1S/C15H24O/c1-5-15(4,6-2)11-12(3)13-7-9-14(16)10-8-13/h7-10,12,16H,5-6,11H2,1-4H3
- InChI Key： QLDVQVUZFJJLEA-UHFFFAOYSA-N
- SMILES： OC1C=CC(=CC=1)C(C)CC(C)(CC)CC
Computed Properties
- Exact Mass: 220.182715385Da
- Monoisotopic Mass: 220.182715385Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 188
- 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: 5.5
- Topological Polar Surface Area: 20.2?2
4-(4-Ethyl-4-methylhexan-2-yl)phenol Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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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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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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