PWK

4,4'-[(2R,3R)-2,3-dimethylbutane-1,4-diyl]bis(2-methoxyphenol)

Created:	2014-04-02
Last modified:	2020-06-05

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1 entries where PWK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	2
Bond Count	51
Aromatic Bond Count	12

2D diagram of PWK

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Chemical Component Summary
Name	4,4'-[(2R,3R)-2,3-dimethylbutane-1,4-diyl]bis(2-methoxyphenol)
Synonyms	Dihydroguaiaretic acid
Systematic Name (OpenEye OEToolkits)	2-methoxy-4-[(2R,3R)-4-(3-methoxy-4-oxidanyl-phenyl)-2,3-dimethyl-butyl]phenol
Formula	C₂₀ H₂₆ O₄
Molecular Weight	330.418
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Oc1ccc(cc1OC)CC(C)C(C)Cc2ccc(O)c(OC)c2
SMILES	CACTVS	3.385	COc1cc(C[CH](C)[CH](C)Cc2ccc(O)c(OC)c2)ccc1O
SMILES	OpenEye OEToolkits	1.7.6	CC(Cc1ccc(c(c1)OC)O)C(C)Cc2ccc(c(c2)OC)O
Canonical SMILES	CACTVS	3.385	COc1cc(C[C@@H](C)[C@H](C)Cc2ccc(O)c(OC)c2)ccc1O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C[C@H](Cc1ccc(c(c1)OC)O)[C@H](C)Cc2ccc(c(c2)OC)O
InChI	InChI	1.03	InChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14-/m1/s1
InChIKey	InChI	1.03	ADFOLUXMYYCTRR-ZIAGYGMSSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL375927
PubChem	11602375
ChEMBL	CHEMBL375927

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