Cas no 135192-84-6 (Phenol, 2-methoxy-4-(1-propynyl)-)
135192-84-6 structure
Product Name:Phenol, 2-methoxy-4-(1-propynyl)-
CAS No:135192-84-6
MF:C10H10O2
MW:162.185203075409
CID:1237935
PubChem ID:71341260
Update Time:2025-04-20
Phenol, 2-methoxy-4-(1-propynyl)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2-methoxy-4-(1-propynyl)-
- 2-methoxy-4-prop-1-ynylphenol
- 1-(4-hydroxy-3-methoxyphenyl) propyne
- DTXSID90768228
- BJEHEPQJTRPTDU-UHFFFAOYSA-N
- 135192-84-6
- 1-(4-Hydroxy-3-methoxyphenyl)-propyne
- 2-Methoxy-4-(prop-1-yn-1-yl)phenol
-
- Inchi： 1S/C10H10O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h5-7,11H,1-2H3
- InChI Key： BJEHEPQJTRPTDU-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C#CC)C=CC=1O
Computed Properties
- Exact Mass: 162.0681
- Monoisotopic Mass: 162.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 198
- 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: 29.5?2
Experimental Properties
- PSA: 29.46
Phenol, 2-methoxy-4-(1-propynyl)- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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