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3-FURYL-1-(2-NAPHTHYL)-2-PROPEN-1-ONE , CAS No.15462-59-6
Basic Description
Synonyms
3-(furan-2-yl)-1-(naphthalen-2-yl)prop-2-en-1-one | 15462-59-6 | 3-(2-furyl)-1-(2-naphthyl)prop-2-en-1-one | (E)-3-(furan-2-yl)-1-naphthalen-2-ylprop-2-en-1-one | 175477-53-9 | (2E)-3-(FURAN-2-YL)-1-(NAPHTHALEN-2-YL)PROP-2-EN-1-ONE | (E)-3-(Furan-2-yl)-1-(naphthalen-
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Naphthalenes
Alternative Parents
Aryl ketones Heteroaromatic compounds Furans Enones Acryloyl compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Naphthalene - Aryl ketone - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Furan - Enone - Acryloyl-group - Ketone - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(E)-3-(furan-2-yl)-1-naphthalen-2-ylprop-2-en-1-one
INCHI
InChI=1S/C17H12O2/c18-17(10-9-16-6-3-11-19-16)15-8-7-13-4-1-2-5-14(13)12-15/h1-12H/b10-9+
InChIKey
MKNALJOPBHUVBL-MDZDMXLPSA-N
Smiles
C1=CC=C2C=C(C=CC2=C1)C(=O)C=CC3=CC=CO3
Isomeric SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)/C=C/C3=CC=CO3
Molecular Weight
248.284
Reaxy-Rn
22928944
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22928944&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
248.270 g/mol
XLogP3
4.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
248.084 Da
Monoisotopic Mass
248.084 Da
Topological Polar Surface Area
30.200 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
347.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
1
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