Cas no 742108-76-5 (PHENOL, 4,4'-(3,5-PYRIDINEDIYLDI-2,1-ETHYNEDIYL)BIS[2-METHOXY-)
742108-76-5 structure
Product Name:PHENOL, 4,4'-(3,5-PYRIDINEDIYLDI-2,1-ETHYNEDIYL)BIS[2-METHOXY-
CAS No:742108-76-5
MF:C23H17NO4
MW:371.385386228561
CID:3484658
PubChem ID:10384579
Update Time:2025-04-21
PHENOL, 4,4'-(3,5-PYRIDINEDIYLDI-2,1-ETHYNEDIYL)BIS[2-METHOXY- Chemical and Physical Properties
Names and Identifiers
-
- PHENOL, 4,4'-(3,5-PYRIDINEDIYLDI-2,1-ETHYNEDIYL)BIS[2-METHOXY-
- 742108-76-5
- SCHEMBL26782294
- 4,4'-(pyridine-3,5-diylbis(ethyne-2,1-diyl))bis(2-methoxyphenol)
-
- Inchi： 1S/C23H17NO4/c1-27-22-12-16(7-9-20(22)25)3-5-18-11-19(15-24-14-18)6-4-17-8-10-21(26)23(13-17)28-2/h7-15,25-26H,1-2H3
- InChI Key： CFJUCWNAJYJFAA-UHFFFAOYSA-N
- SMILES： O(C)C1C(=CC=C(C#CC2C=NC=C(C#CC3=CC=C(C(=C3)OC)O)C=2)C=1)O
Computed Properties
- Exact Mass: 371.11575802Da
- Monoisotopic Mass: 371.11575802Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 28
- Rotatable Bond Count: 6
- Complexity: 584
- 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: 4.1
- Topological Polar Surface Area: 71.8?2
PHENOL, 4,4'-(3,5-PYRIDINEDIYLDI-2,1-ETHYNEDIYL)BIS[2-METHOXY- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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