Cas no 13091-78-6 ([1,1'-Biphenyl]-2,5-diol, 3',5'-dimethyl-)
![[1,1'-Biphenyl]-2,5-diol, 3',5'-dimethyl- structure](https://ossimg.kuujia.com/scimg/13500/13091-78-6x500.png)
13091-78-6 structure
Product Name:[1,1'-Biphenyl]-2,5-diol, 3',5'-dimethyl-
CAS No:13091-78-6
MF:C14H14O2
MW:214.259764194489
CID:1227133
PubChem ID:67189460
Update Time:2025-04-20
[1,1'-Biphenyl]-2,5-diol, 3',5'-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- [1,1'-Biphenyl]-2,5-diol, 3',5'-dimethyl-
- 2-(3,5-dimethylphenyl)benzene-1,4-diol
- DTXSID00736579
- 13091-78-6
- SCHEMBL1860042
- 3',5'-Dimethyl[1,1'-biphenyl]-2,5-diol
-
- Inchi： 1S/C14H14O2/c1-9-5-10(2)7-11(6-9)13-8-12(15)3-4-14(13)16/h3-8,15-16H,1-2H3
- InChI Key： KVPSZVOPWBQXNH-UHFFFAOYSA-N
- SMILES： OC1C=CC(=CC=1C1C=C(C)C=C(C)C=1)O
Computed Properties
- Exact Mass: 214.09942
- Monoisotopic Mass: 214.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 219
- 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: 3.6
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
[1,1'-Biphenyl]-2,5-diol, 3',5'-dimethyl- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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