Cas no 15236-13-2 (2H-1-Benzopyran,3,4-dihydro-8-methyl-2-phenyl-)
15236-13-2 structure
Product Name:2H-1-Benzopyran,3,4-dihydro-8-methyl-2-phenyl-
CAS No:15236-13-2
MF:C16H16O
MW:224.297644615173
CID:98680
PubChem ID:45117144
Update Time:2025-04-18
2H-1-Benzopyran,3,4-dihydro-8-methyl-2-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1-Benzopyran,3,4-dihydro-8-methyl-2-phenyl-
- Flavan, 8-methyl- (8CI)
- SCHEMBL10479000
- 8-methyl-2-phenyl-3,4-dihydro-2H-1-benzopyran
- 15236-13-2
- 8-Methyl-2-phenylchroman
-
- Inchi: 1S/C16H16O/c1-12-6-5-9-14-10-11-15(17-16(12)14)13-7-3-2-4-8-13/h2-9,15H,10-11H2,1H3
- InChI Key: UHLVONDLKLBXLZ-UHFFFAOYSA-N
- SMILES: O1C2C(C)=CC=CC=2CCC1C1C=CC=CC=1
Computed Properties
- Exact Mass: 224.12
- Monoisotopic Mass: 224.12
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 244
- 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: 9.2A^2
- XLogP3: 4.2
2H-1-Benzopyran,3,4-dihydro-8-methyl-2-phenyl- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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