5HW

4,4'-{[(3R)-3-methylcyclohexylidene]methanediyl}diphenol

Created:	2015-09-28
Last modified:	2016-05-04

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1 entries where 5HW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	1
Bond Count	46
Aromatic Bond Count	12

2D diagram of 5HW

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Chemical Component Summary
Name	4,4'-{[(3R)-3-methylcyclohexylidene]methanediyl}diphenol
Systematic Name (OpenEye OEToolkits)	4-[(4-hydroxyphenyl)-[(3R)-3-methylcyclohexylidene]methyl]phenol
Formula	C₂₀ H₂₂ O₂
Molecular Weight	294.387
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Oc1ccc(cc1)/C(c2ccc(O)cc2)=C3/CC(CCC3)C
SMILES	CACTVS	3.385	C[CH]1CCCC(C1)=C(c2ccc(O)cc2)c3ccc(O)cc3
SMILES	OpenEye OEToolkits	1.9.2	CC1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1
Canonical SMILES	CACTVS	3.385	C[C@@H]1CCCC(C1)=C(c2ccc(O)cc2)c3ccc(O)cc3
Canonical SMILES	OpenEye OEToolkits	1.9.2	C[C@@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1
InChI	InChI	1.03	InChI=1S/C20H22O2/c1-14-3-2-4-17(13-14)20(15-5-9-18(21)10-6-15)16-7-11-19(22)12-8-16/h5-12,14,21-22H,2-4,13H2,1H3/t14-/m1/s1
InChIKey	InChI	1.03	QUCLTMSWCMCJJC-CQSZACIVSA-N

Related Resource References

Resource Name	Reference
PubChem	137348355

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