Cas no 62846-39-3 (Phenol, 2-chloro-4-(1-methyl-1-phenylethyl)-)
62846-39-3 structure
Product Name:Phenol, 2-chloro-4-(1-methyl-1-phenylethyl)-
CAS No:62846-39-3
MF:C15H15ClO
MW:246.732003450394
CID:429990
PubChem ID:13139403
Update Time:2025-04-19
Phenol, 2-chloro-4-(1-methyl-1-phenylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2-chloro-4-(1-methyl-1-phenylethyl)-
- 2-chloro-4-(2-phenylpropan-2-yl)phenol
- SCHEMBL2689237
- DTXSID00521124
- 62846-39-3
-
- Inchi： 1S/C15H15ClO/c1-15(2,11-6-4-3-5-7-11)12-8-9-14(17)13(16)10-12/h3-10,17H,1-2H3
- InChI Key： AZWABZDQHDYHGK-UHFFFAOYSA-N
- SMILES： ClC1=C(C=CC(=C1)C(C)(C)C1C=CC=CC=1)O
Computed Properties
- Exact Mass: 246.08125
- Monoisotopic Mass: 246.0811428g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 245
- 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: 5
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
Phenol, 2-chloro-4-(1-methyl-1-phenylethyl)- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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