31K

2-methoxy-6-methyl-4-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)phenol

Created:	2014-05-19
Last modified:	2024-09-27

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1 entries where 31K is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	12

2D diagram of 31K

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Chemical Component Summary
Name	2-methoxy-6-methyl-4-(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)phenol
Systematic Name (OpenEye OEToolkits)	2-methoxy-6-methyl-4-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)phenol
Formula	C₁₇ H₁₉ N O₃
Molecular Weight	285.338
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Oc3c(cc(c2ccc1c(OCCN1C)c2)cc3OC)C
SMILES	CACTVS	3.385	COc1cc(cc(C)c1O)c2ccc3N(C)CCOc3c2
SMILES	OpenEye OEToolkits	1.9.2	Cc1cc(cc(c1O)OC)c2ccc3c(c2)OCCN3C
Canonical SMILES	CACTVS	3.385	COc1cc(cc(C)c1O)c2ccc3N(C)CCOc3c2
Canonical SMILES	OpenEye OEToolkits	1.9.2	Cc1cc(cc(c1O)OC)c2ccc3c(c2)OCCN3C
InChI	InChI	1.03	InChI=1S/C17H19NO3/c1-11-8-13(10-16(20-3)17(11)19)12-4-5-14-15(9-12)21-7-6-18(14)2/h4-5,8-10,19H,6-7H2,1-3H3
InChIKey	InChI	1.03	RZARGVUVKRIAGU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	117072123

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