bis(1-[(2R)-butan-2-yl]oxy-2-methoxy-4-methylbenzene);1-(2-ethoxyethoxy)-4-methyl-2-(trifluoromethyl)benzene;2-methoxy-1-(2-methoxypropan-2-yl)-4-methylbenzene;2-methoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene;2-methoxy-4-methyl-1-(2-methylpropoxy)benzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;1-[(2S)-1-methoxypropan-2-yl]oxy-4-methyl-2-(trifluoromethyl)benzene;1-(2-methoxypropoxy)-4-methyl-2-(trifluoromethyl)benzene;1-(3-methoxypropoxy)-4-methyl-2-(trifluoromethyl)benzene

C120H168F12O20 — CID 159327089

IUPACbis(1-[(2R)-butan-2-yl]oxy-2-methoxy-4-methylbenzene);1-(2-ethoxyethoxy)-4-methyl-2-(trifluoromethyl)benzene;2-methoxy-1-(2-methoxypropan-2-yl)-4-methylbenzene;2-methoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene;2-methoxy-4-methyl-1-(2-methylpropoxy)benzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;1-[(2S)-1-methoxypropan-2-yl]oxy-4-methyl-2-(trifluoromethyl)benzene;1-(2-methoxypropoxy)-4-methyl-2-(trifluoromethyl)benzene;1-(3-methoxypropoxy)-4-methyl-2-(trifluoromethyl)benzene
SMILESCCOCCOc1ccc(C)cc1C(F)(F)F.CC[C@@H](C)Oc1ccc(C)cc1OC.CC[C@@H](C)Oc1ccc(C)cc1OC.COC(C)COc1ccc(C)cc1C(F)(F)F.COCCCOc1ccc(C)cc1C(F)(F)F.COC[C@H](C)Oc1ccc(C)cc1C(F)(F)F.COc1cc(C)ccc1C(C)(C)CO.COc1cc(C)ccc1C(C)(C)OC.COc1cc(C)ccc1OC(C)(C)C.COc1cc(C)ccc1OCC(C)C
InChIInChI=1S/4C12H15F3O2.6C12H18O2/c1-8-4-5-11(17-7-9(2)16-3)10(6-8)12(13,14)15;1-8-4-5-11(17-9(2)7-16-3)10(6-8)12(13,14)15;1-9-4-5-11(17-7-3-6-16-2)10(8-9)12(13,14)15;1-3-16-6-7-17-11-5-4-9(2)8-10(11)12(13,14)15;1-9-6-7-10(11(8-9)13-4)12(2,3)14-5;1-9-6-7-10(11(8-9)13-5)14-12(2,3)4;1-9-5-6-10(11(7-9)14-4)12(2,3)8-13;1-9(2)8-14-11-6-5-10(3)7-12(11)13-4;2*1-5-10(3)14-11-7-6-9(2)8-12(11)13-4/h2*4-6,9H,7H2,1-3H3;2*4-5,8H,3,6-7H2,1-2H3;2*6-8H,1-5H3;5-7,13H,8H2,1-4H3;5-7,9H,8H2,1-4H3;2*6-8,10H,5H2,1-4H3/t;9-;;;;;;;2*10-/m.0......11/s1
InChIKeyLEMQLRZNPOKWPH-KRFPYZOWSA-N
MW2158.62 g/mol
LogP31.45
Rot. Bonds38

About bis(1-[(2R)-butan-2-yl]oxy-2-methoxy-4-methylbenzene);1-(2-ethoxyethoxy)-4-methyl-2-(trifluoromethyl)benzene;2-methoxy-1-(2-methoxypropan-2-yl)-4-methylbenzene;2-methoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene;2-methoxy-4-methyl-1-(2-methylpropoxy)benzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;1-[(2S)-1-methoxypropan-2-yl]oxy-4-methyl-2-(trifluoromethyl)benzene;1-(2-methoxypropoxy)-4-methyl-2-(trifluoromethyl)benzene;1-(3-methoxypropoxy)-4-methyl-2-(trifluoromethyl)benzene

bis(1-[(2R)-butan-2-yl]oxy-2-methoxy-4-methylbenzene);1-(2-ethoxyethoxy)-4-methyl-2-(trifluoromethyl)benzene;2-methoxy-1-(2-methoxypropan-2-yl)-4-methylbenzene;2-methoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene;2-methoxy-4-methyl-1-(2-methylpropoxy)benzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;1-[(2S)-1-methoxypropan-2-yl]oxy-4-methyl-2-(trifluoromethyl)benzene;1-(2-methoxypropoxy)-4-methyl-2-(trifluoromethyl)benzene;1-(3-methoxypropoxy)-4-methyl-2-(trifluoromethyl)benzene (PubChem CID 159327089) has the molecular formula C120H168F12O20 and a molecular weight of 2158.62 g/mol. Its IUPAC name is bis(1-[(2R)-butan-2-yl]oxy-2-methoxy-4-methylbenzene);1-(2-ethoxyethoxy)-4-methyl-2-(trifluoromethyl)benzene;2-methoxy-1-(2-methoxypropan-2-yl)-4-methylbenzene;2-methoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene;2-methoxy-4-methyl-1-(2-methylpropoxy)benzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;1-[(2S)-1-methoxypropan-2-yl]oxy-4-methyl-2-(trifluoromethyl)benzene;1-(2-methoxypropoxy)-4-methyl-2-(trifluoromethyl)benzene;1-(3-methoxypropoxy)-4-methyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Namebis(1-[(2R)-butan-2-yl]oxy-2-methoxy-4-methylbenzene);1-(2-ethoxyethoxy)-4-methyl-2-(trifluoromethyl)benzene;2-methoxy-1-(2-methoxypropan-2-yl)-4-methylbenzene;2-methoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene;2-methoxy-4-methyl-1-(2-methylpropoxy)benzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;1-[(2S)-1-methoxypropan-2-yl]oxy-4-methyl-2-(trifluoromethyl)benzene;1-(2-methoxypropoxy)-4-methyl-2-(trifluoromethyl)benzene;1-(3-methoxypropoxy)-4-methyl-2-(trifluoromethyl)benzene
PubChem CID159327089
Molecular FormulaC120H168F12O20
Molecular Weight2158.62 g/mol
Exact Mass2157.19
IUPAC Namebis(1-[(2R)-butan-2-yl]oxy-2-methoxy-4-methylbenzene);1-(2-ethoxyethoxy)-4-methyl-2-(trifluoromethyl)benzene;2-methoxy-1-(2-methoxypropan-2-yl)-4-methylbenzene;2-methoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene;2-methoxy-4-methyl-1-(2-methylpropoxy)benzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;1-[(2S)-1-methoxypropan-2-yl]oxy-4-methyl-2-(trifluoromethyl)benzene;1-(2-methoxypropoxy)-4-methyl-2-(trifluoromethyl)benzene;1-(3-methoxypropoxy)-4-methyl-2-(trifluoromethyl)benzene
SMILESCCOCCOc1ccc(C)cc1C(F)(F)F.CC[C@@H](C)Oc1ccc(C)cc1OC.CC[C@@H](C)Oc1ccc(C)cc1OC.COC(C)COc1ccc(C)cc1C(F)(F)F.COCCCOc1ccc(C)cc1C(F)(F)F.COC[C@H](C)Oc1ccc(C)cc1C(F)(F)F.COc1cc(C)ccc1C(C)(C)CO.COc1cc(C)ccc1C(C)(C)OC.COc1cc(C)ccc1OC(C)(C)C.COc1cc(C)ccc1OCC(C)C
InChIInChI=1S/4C12H15F3O2.6C12H18O2/c1-8-4-5-11(17-7-9(2)16-3)10(6-8)12(13,14)15;1-8-4-5-11(17-9(2)7-16-3)10(6-8)12(13,14)15;1-9-4-5-11(17-7-3-6-16-2)10(8-9)12(13,14)15;1-3-16-6-7-17-11-5-4-9(2)8-10(11)12(13,14)15;1-9-6-7-10(11(8-9)13-4)12(2,3)14-5;1-9-6-7-10(11(8-9)13-5)14-12(2,3)4;1-9-5-6-10(11(7-9)14-4)12(2,3)8-13;1-9(2)8-14-11-6-5-10(3)7-12(11)13-4;2*1-5-10(3)14-11-7-6-9(2)8-12(11)13-4/h2*4-6,9H,7H2,1-3H3;2*4-5,8H,3,6-7H2,1-2H3;2*6-8H,1-5H3;5-7,13H,8H2,1-4H3;5-7,9H,8H2,1-4H3;2*6-8,10H,5H2,1-4H3/t;9-;;;;;;;2*10-/m.0......11/s1
InChIKeyLEMQLRZNPOKWPH-KRFPYZOWSA-N
XLogP31.45
TPSA195.60 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds38
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002158.62
LogP ≤ 531.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze bis(1-[(2R)-butan-2-yl]oxy-2-methoxy-4-methylbenzene);1-(2-ethoxyethoxy)-4-methyl-2-(trifluoromethyl)benzene;2-methoxy-1-(2-methoxypropan-2-yl)-4-methylbenzene;2-methoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene;2-methoxy-4-methyl-1-(2-methylpropoxy)benzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;1-[(2S)-1-methoxypropan-2-yl]oxy-4-methyl-2-(trifluoromethyl)benzene;1-(2-methoxypropoxy)-4-methyl-2-(trifluoromethyl)benzene;1-(3-methoxypropoxy)-4-methyl-2-(trifluoromethyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1-[(2R)-butan-2-yl]oxy-2-methoxy-4-methylbenzene);1-(2-ethoxyethoxy)-4-methyl-2-(trifluoromethyl)benzene;2-methoxy-1-(2-methoxypropan-2-yl)-4-methylbenzene;2-methoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene;2-methoxy-4-methyl-1-(2-methylpropoxy)benzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;1-[(2S)-1-methoxypropan-2-yl]oxy-4-methyl-2-(trifluoromethyl)benzene;1-(2-methoxypropoxy)-4-methyl-2-(trifluoromethyl)benzene;1-(3-methoxypropoxy)-4-methyl-2-(trifluoromethyl)benzene?
The IUPAC name of bis(1-[(2R)-butan-2-yl]oxy-2-methoxy-4-methylbenzene);1-(2-ethoxyethoxy)-4-methyl-2-(trifluoromethyl)benzene;2-methoxy-1-(2-methoxypropan-2-yl)-4-methylbenzene;2-methoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene;2-methoxy-4-methyl-1-(2-methylpropoxy)benzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;1-[(2S)-1-methoxypropan-2-yl]oxy-4-methyl-2-(trifluoromethyl)benzene;1-(2-methoxypropoxy)-4-methyl-2-(trifluoromethyl)benzene;1-(3-methoxypropoxy)-4-methyl-2-(trifluoromethyl)benzene (CID 159327089) is bis(1-[(2R)-butan-2-yl]oxy-2-methoxy-4-methylbenzene);1-(2-ethoxyethoxy)-4-methyl-2-(trifluoromethyl)benzene;2-methoxy-1-(2-methoxypropan-2-yl)-4-methylbenzene;2-methoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene;2-methoxy-4-methyl-1-(2-methylpropoxy)benzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;1-[(2S)-1-methoxypropan-2-yl]oxy-4-methyl-2-(trifluoromethyl)benzene;1-(2-methoxypropoxy)-4-methyl-2-(trifluoromethyl)benzene;1-(3-methoxypropoxy)-4-methyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for bis(1-[(2R)-butan-2-yl]oxy-2-methoxy-4-methylbenzene);1-(2-ethoxyethoxy)-4-methyl-2-(trifluoromethyl)benzene;2-methoxy-1-(2-methoxypropan-2-yl)-4-methylbenzene;2-methoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene;2-methoxy-4-methyl-1-(2-methylpropoxy)benzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;1-[(2S)-1-methoxypropan-2-yl]oxy-4-methyl-2-(trifluoromethyl)benzene;1-(2-methoxypropoxy)-4-methyl-2-(trifluoromethyl)benzene;1-(3-methoxypropoxy)-4-methyl-2-(trifluoromethyl)benzene?
The canonical SMILES for bis(1-[(2R)-butan-2-yl]oxy-2-methoxy-4-methylbenzene);1-(2-ethoxyethoxy)-4-methyl-2-(trifluoromethyl)benzene;2-methoxy-1-(2-methoxypropan-2-yl)-4-methylbenzene;2-methoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene;2-methoxy-4-methyl-1-(2-methylpropoxy)benzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;1-[(2S)-1-methoxypropan-2-yl]oxy-4-methyl-2-(trifluoromethyl)benzene;1-(2-methoxypropoxy)-4-methyl-2-(trifluoromethyl)benzene;1-(3-methoxypropoxy)-4-methyl-2-(trifluoromethyl)benzene is CCOCCOc1ccc(C)cc1C(F)(F)F.CC[C@@H](C)Oc1ccc(C)cc1OC.CC[C@@H](C)Oc1ccc(C)cc1OC.COC(C)COc1ccc(C)cc1C(F)(F)F.COCCCOc1ccc(C)cc1C(F)(F)F.COC[C@H](C)Oc1ccc(C)cc1C(F)(F)F.COc1cc(C)ccc1C(C)(C)CO.COc1cc(C)ccc1C(C)(C)OC.COc1cc(C)ccc1OC(C)(C)C.COc1cc(C)ccc1OCC(C)C.
What is the InChIKey of bis(1-[(2R)-butan-2-yl]oxy-2-methoxy-4-methylbenzene);1-(2-ethoxyethoxy)-4-methyl-2-(trifluoromethyl)benzene;2-methoxy-1-(2-methoxypropan-2-yl)-4-methylbenzene;2-methoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene;2-methoxy-4-methyl-1-(2-methylpropoxy)benzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;1-[(2S)-1-methoxypropan-2-yl]oxy-4-methyl-2-(trifluoromethyl)benzene;1-(2-methoxypropoxy)-4-methyl-2-(trifluoromethyl)benzene;1-(3-methoxypropoxy)-4-methyl-2-(trifluoromethyl)benzene?
The InChIKey is LEMQLRZNPOKWPH-KRFPYZOWSA-N. The full InChI is InChI=1S/4C12H15F3O2.6C12H18O2/c1-8-4-5-11(17-7-9(2)16-3)10(6-8)12(13,14)15;1-8-4-5-11(17-9(2)7-16-3)10(6-8)12(13,14)15;1-9-4-5-11(17-7-3-6-16-2)10(8-9)12(13,14)15;1-3-16-6-7-17-11-5-4-9(2)8-10(11)12(13,14)15;1-9-6-7-10(11(8-9)13-4)12(2,3)14-5;1-9-6-7-10(11(8-9)13-5)14-12(2,3)4;1-9-5-6-10(11(7-9)14-4)12(2,3)8-13;1-9(2)8-14-11-6-5-10(3)7-12(11)13-4;2*1-5-10(3)14-11-7-6-9(2)8-12(11)13-4/h2*4-6,9H,7H2,1-3H3;2*4-5,8H,3,6-7H2,1-2H3;2*6-8H,1-5H3;5-7,13H,8H2,1-4H3;5-7,9H,8H2,1-4H3;2*6-8,10H,5H2,1-4H3/t;9-;;;;;;;2*10-/m.0......11/s1.
What are the key properties of bis(1-[(2R)-butan-2-yl]oxy-2-methoxy-4-methylbenzene);1-(2-ethoxyethoxy)-4-methyl-2-(trifluoromethyl)benzene;2-methoxy-1-(2-methoxypropan-2-yl)-4-methylbenzene;2-methoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene;2-methoxy-4-methyl-1-(2-methylpropoxy)benzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;1-[(2S)-1-methoxypropan-2-yl]oxy-4-methyl-2-(trifluoromethyl)benzene;1-(2-methoxypropoxy)-4-methyl-2-(trifluoromethyl)benzene;1-(3-methoxypropoxy)-4-methyl-2-(trifluoromethyl)benzene?
bis(1-[(2R)-butan-2-yl]oxy-2-methoxy-4-methylbenzene);1-(2-ethoxyethoxy)-4-methyl-2-(trifluoromethyl)benzene;2-methoxy-1-(2-methoxypropan-2-yl)-4-methylbenzene;2-methoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene;2-methoxy-4-methyl-1-(2-methylpropoxy)benzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;1-[(2S)-1-methoxypropan-2-yl]oxy-4-methyl-2-(trifluoromethyl)benzene;1-(2-methoxypropoxy)-4-methyl-2-(trifluoromethyl)benzene;1-(3-methoxypropoxy)-4-methyl-2-(trifluoromethyl)benzene has a molecular weight of 2158.62 g/mol, XLogP of 31.45, 38 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[(2R)-butan-2-yl]oxy-2-methoxy-4-methylbenzene);1-(2-ethoxyethoxy)-4-methyl-2-(trifluoromethyl)benzene;2-methoxy-1-(2-methoxypropan-2-yl)-4-methylbenzene;2-methoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene;2-methoxy-4-methyl-1-(2-methylpropoxy)benzene;2-(2-methoxy-4-methylphenyl)-2-methylpropan-1-ol;1-[(2S)-1-methoxypropan-2-yl]oxy-4-methyl-2-(trifluoromethyl)benzene;1-(2-methoxypropoxy)-4-methyl-2-(trifluoromethyl)benzene;1-(3-methoxypropoxy)-4-methyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 159327089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).