Cas no 54845-41-9 (1,3-Benzenedimethanol, 2-hydroxy-5-(1-methylethyl)-)
54845-41-9 structure
Product Name:1,3-Benzenedimethanol, 2-hydroxy-5-(1-methylethyl)-
CAS No:54845-41-9
MF:C11H16O3
MW:196.242943763733
CID:353530
PubChem ID:533648
Update Time:2025-04-19
1,3-Benzenedimethanol, 2-hydroxy-5-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedimethanol, 2-hydroxy-5-(1-methylethyl)-
- 2,6-Bis(hydroxymethyl)-4-isopropylphenol
- 2,6-bis(hydroxymethyl)-4-propan-2-ylphenol
- DTXSID60336413
- 2,6-dihydroxymethyl-4-isopropylphenol
- SCHEMBL4455166
- JOOOXGGAHUBKTL-UHFFFAOYSA-N
- Phenol, 2,6-bis(hydroxymethyl)-4-isopropyl-
- 54845-41-9
- 2,6-Bis-hydroxymethyl-4-isopropylphenol
-
- Inchi： 1S/C11H16O3/c1-7(2)8-3-9(5-12)11(14)10(4-8)6-13/h3-4,7,12-14H,5-6H2,1-2H3
- InChI Key： JOOOXGGAHUBKTL-UHFFFAOYSA-N
- SMILES： OC1C(CO)=CC(=CC=1CO)C(C)C
Computed Properties
- Exact Mass: 196.10998
- Monoisotopic Mass: 196.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 156
- 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: 1.5
- Topological Polar Surface Area: 60.7?2
Experimental Properties
- PSA: 60.69
1,3-Benzenedimethanol, 2-hydroxy-5-(1-methylethyl)- Related Literature
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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