Cas no 127451-21-2 (Benzenemethanol, 2-methyl-3-(1-methylethyl)- (9CI))
127451-21-2 structure
Product Name:Benzenemethanol, 2-methyl-3-(1-methylethyl)- (9CI)
CAS No:127451-21-2
MF:C11H16O
MW:164.244143486023
CID:897513
Update Time:2025-04-19
Benzenemethanol, 2-methyl-3-(1-methylethyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol, 2-methyl-3-(1-methylethyl)- (9CI)
- (2-methyl-3-propan-2-ylphenyl)methanol
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- Inchi： 1S/C11H16O/c1-8(2)11-6-4-5-10(7-12)9(11)3/h4-6,8,12H,7H2,1-3H3
- InChI Key： OCTCVAWMEVIFDW-UHFFFAOYSA-N
- SMILES： C1(CO)=CC=CC(C(C)C)=C1C
Computed Properties
- Exact Mass: 164.12018
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 131
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.5
Experimental Properties
- PSA: 20.23
Benzenemethanol, 2-methyl-3-(1-methylethyl)- (9CI) Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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