Cas no 58456-88-5 (Phenol, 2-iodo-4-(1-methylethyl)-)
58456-88-5 structure
Product Name:Phenol, 2-iodo-4-(1-methylethyl)-
CAS No:58456-88-5
MF:C9H11IO
MW:262.087515115738
CID:342003
PubChem ID:12652100
Update Time:2025-04-19
Phenol, 2-iodo-4-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2-iodo-4-(1-methylethyl)-
- 2-iodo-4-isopropylphenol
- 2-iodo-4-propan-2-ylphenol
- 2-IODO-4-(PROPAN-2-YL)PHENOL
- 2-iodo-4-(1-methylethyl)phenol
- 58456-88-5
- DTXSID90505756
- AKOS026732198
- MB22548
- QRIAFNSSHHQLEI-UHFFFAOYSA-N
- SCHEMBL788149
- FT-0741533
-
- Inchi: 1S/C9H11IO/c1-6(2)7-3-4-9(11)8(10)5-7/h3-6,11H,1-2H3
- InChI Key: QRIAFNSSHHQLEI-UHFFFAOYSA-N
- SMILES: IC1=C(C=CC(=C1)C(C)C)O
Computed Properties
- Exact Mass: 261.98503
- Monoisotopic Mass: 261.98546g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 125
- 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: 3.3
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
Phenol, 2-iodo-4-(1-methylethyl)- Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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