Cas no 84605-25-4 (Phenol, 1-methylhexylderivs.)
Phenol, 1-methylhexylderivs. structure
Product Name:Phenol, 1-methylhexylderivs.
CAS No:84605-25-4
MF:C13H20O
MW:192.297304153442
CID:728337
PubChem ID:11106206
Update Time:2025-04-19
Phenol, 1-methylhexylderivs. Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 1-methylhexylderivs.
- 1-METHYLHEXYL-PHENOL
- 2-heptan-2-ylphenol
- SCHEMBL981441
- 84605-25-4
-
- Inchi： 1S/C13H20O/c1-3-4-5-8-11(2)12-9-6-7-10-13(12)14/h6-7,9-11,14H,3-5,8H2,1-2H3
- InChI Key： CKVQIYQLENENJN-UHFFFAOYSA-N
- SMILES： OC1C=CC=CC=1C(C)CCCCC
Computed Properties
- Exact Mass: 192.151415257g/mol
- Monoisotopic Mass: 192.151415257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 144
- 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
- Topological Polar Surface Area: 20.2?2
Phenol, 1-methylhexylderivs. Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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