7F6

(1R,2R)-1,2-diphenylethane-1,2-diol

Created: 2016-10-17
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count2
Bond Count31
Aromatic Bond Count12
2D diagram of 7F6

Chemical Component Summary

Name(1R,2R)-1,2-diphenylethane-1,2-diol
Synonymscis-stilbene epoxide, bound form
Systematic Name (OpenEye OEToolkits)(1~{R},2~{R})-1,2-diphenylethane-1,2-diol
FormulaC14 H14 O2
Molecular Weight214.26
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01C(C(c1ccccc1)O)(O)c2ccccc2
SMILESCACTVS3.385O[CH]([CH](O)c1ccccc1)c2ccccc2
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)C(C(c2ccccc2)O)O
Canonical SMILESCACTVS3.385 O[C@@H]([C@H](O)c1ccccc1)c2ccccc2
Canonical SMILESOpenEye OEToolkits2.0.6 c1ccc(cc1)[C@H]([C@@H](c2ccccc2)O)O
InChIInChI1.03 InChI=1S/C14H14O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-16H/t13-,14-/m1/s1
InChIKeyInChI1.03 IHPDTPWNFBQHEB-ZIAGYGMSSA-N

Related Resource References

Resource NameReference
PubChem 853019
ChEBI CHEBI:50014
CCDC/CSD VABVEZ, RUXQUW, GUGDIV, ZINFEJ01, RUXRAD, ZAVXEZ, VABVAV