Cas no 1706-73-6 (1,4-Benzenediol,2-(phenylmethyl)-)
1706-73-6 structure
Product Name:1,4-Benzenediol,2-(phenylmethyl)-
1,4-Benzenediol,2-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenediol,2-(phenylmethyl)-
- 2-?Benzylhydroquinone
- 2-benzylbenzene-1,4-diol
- 2-Benzylhydroquinone
- 2-(Phenylmethyl)-1,4-benzenediol
- 2.5-Dihydroxy-1-benzyl-benzol
- 2-benzyl-4-hydroxyphenol
- 2-Benzyl-hydrochinon
- 2-benzyl-hydroquinone
- AC1L2LQ9
- AC1Q7AFI
- benzyl-1,4-hydroquinone
- Benzylhydroquinone
- hydroquinone derivative, 2a
- monobenzylhydroquinone
- SureCN390179
- 2-Benzyl-1,4-benzenediol
- BMC171353 Compound 6b
- NSC 99303
- 1,4-Benzenediol, 2-(phenylmethyl)-
- SCHEMBL390179
- CHEMBL481994
- DTXSID2073273
- BDBM34111
- NSC99303
- NSC-99303
- 1706-73-6
- FT-0733773
- NEWPHVNFSATQRX-UHFFFAOYSA-N
- NCI60_042224
- DA-28952
-
- Inchi： 1S/C13H12O2/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,14-15H,8H2
- InChI Key： NEWPHVNFSATQRX-UHFFFAOYSA-N
- SMILES： OC1C=CC(=CC=1CC1C=CC=CC=1)O
Computed Properties
- Exact Mass: 200.08376
- Monoisotopic Mass: 200.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 187
- 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
- Topological Polar Surface Area: 40.5A^2
- XLogP3: 3.1
Experimental Properties
- Density: 1.0907 (rough estimate)
- Melting Point: 105.8°C
- Boiling Point: 297.96°C (rough estimate)
- Flash Point: 192.6°C
- Refractive Index: 1.6110 (estimate)
- PSA: 40.46
- LogP: 2.68860
1,4-Benzenediol,2-(phenylmethyl)- Related Literature
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1. Applications of high-potential quinones. Part VIII. Mechanism of oxidation of 2-benzylphenol to benzylbenzoquinonesJ. M. Singh,A. B. Turner J. Chem. Soc. Perkin Trans. 1 1972 2294
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2. Benzoquinones and related compounds. Part 5. Nuclear magnetic resonance study of the conformation in solution of some Diels–Alder adducts between 1,4-benzoquinones and cyclopentadieneRaad Al-Hamdany,J. Malcolm Bruce,Frank Heatley,Jabbar Khalafy J. Chem. Soc. Perkin Trans. 2 1985 1395
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3. Benzoquinones and related compounds. Part 5. Nuclear magnetic resonance study of the conformation in solution of some Diels–Alder adducts between 1,4-benzoquinones and cyclopentadieneRaad Al-Hamdany,J. Malcolm Bruce,Frank Heatley,Jabbar Khalafy J. Chem. Soc. Perkin Trans. 2 1985 1395
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C. Fuganti,J. Staunton,A. R. Battersby J. Chem. Soc. D 1971 1154
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