Cas no 81715-96-0 (3-Phenylchroman-7-ol)
3-Phenylchroman-7-ol structure
Product Name:3-Phenylchroman-7-ol
CAS No:81715-96-0
MF:C15H14O2
MW:226.270464420319
CID:708179
PubChem ID:20496761
Update Time:2024-03-01
3-Phenylchroman-7-ol Chemical and Physical Properties
Names and Identifiers
-
- 2H-1-Benzopyran-7-ol,3,4-dihydro-3-phenyl-
- 2H-1-Benzopyran-7-ol,3,4-dihydro-3-phenyl-(9CI)
- 3-Phenylchroman-7-ol
- 7-hydroxyisoflavane
- LKMWTIGVJAWQHQ-UHFFFAOYSA-N
- BDBM50419934
- 3-phenyl-3,4-dihydro-2H-1-benzopyran-7-ol
- 7-hydroxy-3-phenyl-3,4-dihydro-2H-1-benzopyrane
- 3-phenyl-7-hydroxy-3,4-dihydro-2H-1-benzopyrane
-
- Inchi： 1S/C15H14O2/c16-14-7-6-12-8-13(10-17-15(12)9-14)11-4-2-1-3-5-11/h1-7,9,13,16H,8,10H2
- InChI Key： LKMWTIGVJAWQHQ-UHFFFAOYSA-N
- SMILES： O1C2C=C(C=CC=2CC(C2C=CC=CC=2)C1)O
Computed Properties
- Exact Mass: 226.099
- Monoisotopic Mass: 226.099
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 247
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 29.5
- XLogP3: 3.3
3-Phenylchroman-7-ol Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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