Cas no 42860-77-5 (2,5-Cyclohexadien-1-one, 4-hydroxy-4-phenyl-)
42860-77-5 structure
Product Name:2,5-Cyclohexadien-1-one, 4-hydroxy-4-phenyl-
CAS No:42860-77-5
MF:C12H10O2
MW:186.206603527069
CID:2638369
PubChem ID:179550
Update Time:2025-04-21
2,5-Cyclohexadien-1-one, 4-hydroxy-4-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-hydroxy-4-phenyl-2,5-Cyclohexadien-1-one
- CHEMBL149352
- 42860-77-5
- AKRVCGPAANXFME-UHFFFAOYSA-N
- 4-hydroxy-4-phenylcyclohexa-2,5-dien-1-one
- SCHEMBL3674004
- 1-Hydroxy[1,1'-biphenyl]-4(1H)-one
- 4-Hydroxy-4-phenyl-cyclohexa-2,5-dienone
- 4-hydroxy-4-phenyl-2,5-cyclohexadienone
- 4-hydroxy-4-phenyl-cyclohexa-2,5-dien-1-one
- 4-phenyl-4-hydroxycyclohexa-2,5-dienone
- 2,5-Cyclohexadien-1-one, 4-hydroxy-4-phenyl-
- DTXSID10962746
-
- Inchi： 1S/C12H10O2/c13-11-6-8-12(14,9-7-11)10-4-2-1-3-5-10/h1-9,14H
- InChI Key： AKRVCGPAANXFME-UHFFFAOYSA-N
- SMILES： OC1(C=CC(C=C1)=O)C1C=CC=CC=1
Computed Properties
- Exact Mass: 186.068079557Da
- Monoisotopic Mass: 186.068079557Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 267
- 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: 1.5
- Topological Polar Surface Area: 37.3?2
2,5-Cyclohexadien-1-one, 4-hydroxy-4-phenyl- Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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