Cas no 851401-44-0 (4-(2,3,5-Trimethylhexan-2-yl)phenol)
851401-44-0 structure
Product Name:4-(2,3,5-Trimethylhexan-2-yl)phenol
CAS No:851401-44-0
MF:C15H24O
MW:220.350464820862
CID:2807643
PubChem ID:71406400
Update Time:2025-04-21
4-(2,3,5-Trimethylhexan-2-yl)phenol Chemical and Physical Properties
Names and Identifiers
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- 4-(1,1,2,4-tetramethylpentyl)-phenol
- 851401-44-0
- 4-(2,3,5-Trimethylhexan-2-yl)phenol
- DTXCID10777751
- DTXSID70827009
- KUMFTCMLXKFEPG-UHFFFAOYSA-N
- Phenol, 4-(1,1,2,4-tetramethylpentyl)
-
- Inchi： 1S/C15H24O/c1-11(2)10-12(3)15(4,5)13-6-8-14(16)9-7-13/h6-9,11-12,16H,10H2,1-5H3
- InChI Key： KUMFTCMLXKFEPG-UHFFFAOYSA-N
- SMILES： OC1C=CC(=CC=1)C(C)(C)C(C)CC(C)C
Computed Properties
- Exact Mass: 220.182715385g/mol
- Monoisotopic Mass: 220.182715385g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 200
- 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: 5.4
- Topological Polar Surface Area: 20.2?2
4-(2,3,5-Trimethylhexan-2-yl)phenol Related Literature
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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