Cas no 81840-57-5 ((1E)-1-(4-hydroxy-3-methoxyphenyl)-7-phenylhept-1-en-3-one)
81840-57-5 structure
Product Name:(1E)-1-(4-hydroxy-3-methoxyphenyl)-7-phenylhept-1-en-3-one
CAS No:81840-57-5
MF:C20H22O3
MW:310.386886119843
CID:1804712
PubChem ID:6440365
Update Time:2025-04-21
(1E)-1-(4-hydroxy-3-methoxyphenyl)-7-phenylhept-1-en-3-one Chemical and Physical Properties
Names and Identifiers
-
- (1E)-1-(4-hydroxy-3-methoxyphenyl)-7-phenylhept-1-en-3-one
- (1E)-1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-1-hepten-3-one
- 1-Hepten-3-one, 1-(4-hydroxy-3-methoxyphenyl)-7-phenyl-, (1E)-
- (E)-1-(4-hydroxy-3-methoxyphenyl)-7-phenylhept-1-en-3-one
- C20H22O3
- 81840-57-5
- PD129087
- J8L7BX8M7S
- 1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-1-hepten-3-one
- SCHEMBL9533683
- EX-A6681
- Yakuchinone B
- 1-Hepten-3-one, 1-(4-hydroxy-3-methoxyphenyl)-7-phenyl-
- BDBM50608776
- CHEMBL5274645
-
- Inchi： 1S/C20H22O3/c1-23-20-15-17(12-14-19(20)22)11-13-18(21)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,11-15,22H,5-6,9-10H2,1H3/b13-11+
- InChI Key： OKVCTOBWIAGOMR-ACCUITESSA-N
- SMILES： O=C(/C=C/C1C=CC(=C(C=1)OC)O)CCCCC1C=CC=CC=1
Computed Properties
- Exact Mass: 310.15689456g/mol
- Monoisotopic Mass: 310.15689456g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 8
- Complexity: 371
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.5
- Topological Polar Surface Area: 46.5?2
(1E)-1-(4-hydroxy-3-methoxyphenyl)-7-phenylhept-1-en-3-one Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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