1-phenyl-1.2-ethanediol

ScientificNameLabel

1-phenyl-1.2-ethanediol
PHCD compound ID :	3094
Chemical Names :	1-phenyl-1.2-ethanediol
Molecular Formula :	C8H10O2
Molecular Weight :	138.06808

More Details :

Names & Synonyms:	1-phenylethane-1,2-diol
Smiles:	OC[C@@H](c1ccccc1)O
InChi :	InChI=1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2/t8-/m0/s1
InChi Key :	InChIKey=PWMWNFMRSKOCEY-QMMMGPOBSA-N
PubChem ID :	7149

Rotatable bond count :	2	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	9.839014
Hydrogen bond donor count :	2	Electric dipole moment :	2.651
XLogP :	-0.013	VDW volume :	133.338954
Molecular weight :	138.06808	HOMO-LUMO gap :	9.708000

Herb list :

Cumin - Cuminum cyminum - زیره سبز

Refrences & Litretures:


406. Journal:'J. Agric. Food Chem' Year:'2010' Volume:'58' Page:'10410' DOI:'10.1021/jf102248j' Title:'Essential Oils, Phenolics, and Antioxidant Activities of Different Parts of Cumin (Cuminum cyminum L.)'

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