Cas no 102359-72-8 (2-(hydroxymethyl)-4-propan-2-ylphenol)
102359-72-8 structure
Product Name:2-(hydroxymethyl)-4-propan-2-ylphenol
CAS No:102359-72-8
MF:C10H14O2
MW:166.216963291168
CID:1135319
PubChem ID:68066967
Update Time:2025-04-20
2-(hydroxymethyl)-4-propan-2-ylphenol Chemical and Physical Properties
Names and Identifiers
-
- 2-(hydroxymethyl)-4-propan-2-ylphenol
- 102359-72-8
- 2-(hydroxymethyl)-4-isopropylphenol
- 2-(Hydroxymethyl)-4-(propan-2-yl)phenol
- SCHEMBL10215349
- Benzenemethanol, 2-hydroxy-5-(1-methylethyl)-
- DTXSID90737934
- CS-0378505
- 2-hydroxymethyl-4-isopropylphenol
-
- Inchi： 1S/C10H14O2/c1-7(2)8-3-4-10(12)9(5-8)6-11/h3-5,7,11-12H,6H2,1-2H3
- InChI Key： NQYJZVIUIWEHNX-UHFFFAOYSA-N
- SMILES： OC1C=CC(=CC=1CO)C(C)C
Computed Properties
- Exact Mass: 166.09942
- Monoisotopic Mass: 166.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 134
- 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: 1.7
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
2-(hydroxymethyl)-4-propan-2-ylphenol Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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