Benzene acetic acid,2-phenyl ethyl ester

ScientificNameLabel

Benzene acetic acid,2-phenyl ethyl ester
PHCD compound ID :	4328
Chemical Names :	Benzene acetic acid,2-phenyl ethyl ester
Molecular Formula :	C16H16O2
Molecular Weight :	240.11503

More Details :

Names & Synonyms:	2-phenylethyl 2-phenylacetate , 2-phenylacetic acid 2-phenylethyl ester , 2-phenylethyl 2-phenylethanoate , 2-phenylacetic acid phenethyl ester
Smiles:	O=C(Cc1ccccc1)OCCc1ccccc1
InChi :	InChI=1S/C16H16O2/c17-16(13-15-9-5-2-6-10-15)18-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2
InChi Key :	InChIKey=ZOZIRNMDEZKZHM-UHFFFAOYSA-N
PubChem ID :	7601

Rotatable bond count :	6	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	9.481705
Hydrogen bond donor count :	0	Electric dipole moment :	1.689
XLogP :	3.246	VDW volume :	237.904538
Molecular weight :	240.11503	HOMO-LUMO gap :	9.614000

Herb list :

Damask rose, Persian rose - Rosa damascena - گل محمدی، گل گلاب

Refrences & Litretures:


634. Journal:'Chemistry of Natural Compounds' Year:'2009' Volume:'45' Page:'110' DOI:'' Title:'CHEMICAL COMPOSITION OF THE ESSENTIAL OILS OF Rosa damascena FROM TWO DIFFERENT LOCATIONS IN IRAN'

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