1-cyclohexyl-4-[2-(3-methylbutan-2-yloxy)ethoxy]benzene;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)ethoxybenzene;2-[2-(3-methylbutan-2-yloxy)ethoxy]-1,3-di(propan-2-yl)benzene;2-(3-methylbutan-2-yloxy)ethylbenzene;2-(3-methylbutan-2-yloxy)ethyl cyclohexanecarboxylate;3-methylbutan-2-yloxymethylbenzene;3-methylbutan-2-yloxymethylcyclohexane;2-(3-methylbutan-2-yloxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;1-methyl-2-[2-(3-methylbutan-2-yloxy)ethoxy]-3-(trifluoromethyl)benzene

C145H237F3O18 — CID 157438767

IUPAC1-cyclohexyl-4-[2-(3-methylbutan-2-yloxy)ethoxy]benzene;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)ethoxybenzene;2-[2-(3-methylbutan-2-yloxy)ethoxy]-1,3-di(propan-2-yl)benzene;2-(3-methylbutan-2-yloxy)ethylbenzene;2-(3-methylbutan-2-yloxy)ethyl cyclohexanecarboxylate;3-methylbutan-2-yloxymethylbenzene;3-methylbutan-2-yloxymethylcyclohexane;2-(3-methylbutan-2-yloxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;1-methyl-2-[2-(3-methylbutan-2-yloxy)ethoxy]-3-(trifluoromethyl)benzene
SMILESCC(C)C(C)OC12CC3CC(CC(C3)C1)C2.CC(C)C(C)OC1C2CC3C(=O)OC1C3C2.CC(C)C(C)OCC1CCCCC1.CC(C)C(C)OCCOC(=O)C1CCCCC1.CC(C)C(C)OCCOc1ccc(C2CCCCC2)cc1.CC(C)C(C)OCCOc1ccccc1.CC(C)C(C)OCCc1ccccc1.CC(C)C(C)OCc1ccccc1.CC(C)c1cccc(C(C)C)c1OCCOC(C)C(C)C.Cc1cccc(C(F)(F)F)c1OCCOC(C)C(C)C
InChIInChI=1S/C19H30O2.C19H32O2.C15H21F3O2.C15H26O.C14H26O3.C13H20O3.C13H20O2.C13H20O.C12H24O.C12H18O/c1-15(2)16(3)20-13-14-21-19-11-9-18(10-12-19)17-7-5-4-6-8-17;1-13(2)16(7)20-11-12-21-19-17(14(3)4)9-8-10-18(19)15(5)6;1-10(2)12(4)19-8-9-20-14-11(3)6-5-7-13(14)15(16,17)18;1-10(2)11(3)16-15-7-12-4-13(8-15)6-14(5-12)9-15;1-11(2)12(3)16-9-10-17-14(15)13-7-5-4-6-8-13;1-6(2)7(3)15-11-8-4-9-10(5-8)13(14)16-12(9)11;1-11(2)12(3)14-9-10-15-13-7-5-4-6-8-13;1-11(2)12(3)14-10-9-13-7-5-4-6-8-13;2*1-10(2)11(3)13-9-12-7-5-4-6-8-12/h9-12,15-17H,4-8,13-14H2,1-3H3;8-10,13-16H,11-12H2,1-7H3;5-7,10,12H,8-9H2,1-4H3;10-14H,4-9H2,1-3H3;11-13H,4-10H2,1-3H3;6-12H,4-5H2,1-3H3;4-8,11-12H,9-10H2,1-3H3;4-8,11-12H,9-10H2,1-3H3;10-12H,4-9H2,1-3H3;4-8,10-11H,9H2,1-3H3
InChIKeyBRKMTODOTMKXIU-UHFFFAOYSA-N
MW2325.47 g/mol
LogP37.48
Rot. Bonds52

About 1-cyclohexyl-4-[2-(3-methylbutan-2-yloxy)ethoxy]benzene;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)ethoxybenzene;2-[2-(3-methylbutan-2-yloxy)ethoxy]-1,3-di(propan-2-yl)benzene;2-(3-methylbutan-2-yloxy)ethylbenzene;2-(3-methylbutan-2-yloxy)ethyl cyclohexanecarboxylate;3-methylbutan-2-yloxymethylbenzene;3-methylbutan-2-yloxymethylcyclohexane;2-(3-methylbutan-2-yloxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;1-methyl-2-[2-(3-methylbutan-2-yloxy)ethoxy]-3-(trifluoromethyl)benzene

1-cyclohexyl-4-[2-(3-methylbutan-2-yloxy)ethoxy]benzene;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)ethoxybenzene;2-[2-(3-methylbutan-2-yloxy)ethoxy]-1,3-di(propan-2-yl)benzene;2-(3-methylbutan-2-yloxy)ethylbenzene;2-(3-methylbutan-2-yloxy)ethyl cyclohexanecarboxylate;3-methylbutan-2-yloxymethylbenzene;3-methylbutan-2-yloxymethylcyclohexane;2-(3-methylbutan-2-yloxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;1-methyl-2-[2-(3-methylbutan-2-yloxy)ethoxy]-3-(trifluoromethyl)benzene (PubChem CID 157438767) has the molecular formula C145H237F3O18 and a molecular weight of 2325.47 g/mol. Its IUPAC name is 1-cyclohexyl-4-[2-(3-methylbutan-2-yloxy)ethoxy]benzene;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)ethoxybenzene;2-[2-(3-methylbutan-2-yloxy)ethoxy]-1,3-di(propan-2-yl)benzene;2-(3-methylbutan-2-yloxy)ethylbenzene;2-(3-methylbutan-2-yloxy)ethyl cyclohexanecarboxylate;3-methylbutan-2-yloxymethylbenzene;3-methylbutan-2-yloxymethylcyclohexane;2-(3-methylbutan-2-yloxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;1-methyl-2-[2-(3-methylbutan-2-yloxy)ethoxy]-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-cyclohexyl-4-[2-(3-methylbutan-2-yloxy)ethoxy]benzene;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)ethoxybenzene;2-[2-(3-methylbutan-2-yloxy)ethoxy]-1,3-di(propan-2-yl)benzene;2-(3-methylbutan-2-yloxy)ethylbenzene;2-(3-methylbutan-2-yloxy)ethyl cyclohexanecarboxylate;3-methylbutan-2-yloxymethylbenzene;3-methylbutan-2-yloxymethylcyclohexane;2-(3-methylbutan-2-yloxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;1-methyl-2-[2-(3-methylbutan-2-yloxy)ethoxy]-3-(trifluoromethyl)benzene
PubChem CID157438767
Molecular FormulaC145H237F3O18
Molecular Weight2325.47 g/mol
Exact Mass2323.76
IUPAC Name1-cyclohexyl-4-[2-(3-methylbutan-2-yloxy)ethoxy]benzene;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)ethoxybenzene;2-[2-(3-methylbutan-2-yloxy)ethoxy]-1,3-di(propan-2-yl)benzene;2-(3-methylbutan-2-yloxy)ethylbenzene;2-(3-methylbutan-2-yloxy)ethyl cyclohexanecarboxylate;3-methylbutan-2-yloxymethylbenzene;3-methylbutan-2-yloxymethylcyclohexane;2-(3-methylbutan-2-yloxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;1-methyl-2-[2-(3-methylbutan-2-yloxy)ethoxy]-3-(trifluoromethyl)benzene
SMILESCC(C)C(C)OC12CC3CC(CC(C3)C1)C2.CC(C)C(C)OC1C2CC3C(=O)OC1C3C2.CC(C)C(C)OCC1CCCCC1.CC(C)C(C)OCCOC(=O)C1CCCCC1.CC(C)C(C)OCCOc1ccc(C2CCCCC2)cc1.CC(C)C(C)OCCOc1ccccc1.CC(C)C(C)OCCc1ccccc1.CC(C)C(C)OCc1ccccc1.CC(C)c1cccc(C(C)C)c1OCCOC(C)C(C)C.Cc1cccc(C(F)(F)F)c1OCCOC(C)C(C)C
InChIInChI=1S/C19H30O2.C19H32O2.C15H21F3O2.C15H26O.C14H26O3.C13H20O3.C13H20O2.C13H20O.C12H24O.C12H18O/c1-15(2)16(3)20-13-14-21-19-11-9-18(10-12-19)17-7-5-4-6-8-17;1-13(2)16(7)20-11-12-21-19-17(14(3)4)9-8-10-18(19)15(5)6;1-10(2)12(4)19-8-9-20-14-11(3)6-5-7-13(14)15(16,17)18;1-10(2)11(3)16-15-7-12-4-13(8-15)6-14(5-12)9-15;1-11(2)12(3)16-9-10-17-14(15)13-7-5-4-6-8-13;1-6(2)7(3)15-11-8-4-9-10(5-8)13(14)16-12(9)11;1-11(2)12(3)14-9-10-15-13-7-5-4-6-8-13;1-11(2)12(3)14-10-9-13-7-5-4-6-8-13;2*1-10(2)11(3)13-9-12-7-5-4-6-8-12/h9-12,15-17H,4-8,13-14H2,1-3H3;8-10,13-16H,11-12H2,1-7H3;5-7,10,12H,8-9H2,1-4H3;10-14H,4-9H2,1-3H3;11-13H,4-10H2,1-3H3;6-12H,4-5H2,1-3H3;4-8,11-12H,9-10H2,1-3H3;4-8,11-12H,9-10H2,1-3H3;10-12H,4-9H2,1-3H3;4-8,10-11H,9H2,1-3H3
InChIKeyBRKMTODOTMKXIU-UHFFFAOYSA-N
XLogP37.48
TPSA181.82 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds52
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002325.47
LogP ≤ 537.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-4-[2-(3-methylbutan-2-yloxy)ethoxy]benzene;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)ethoxybenzene;2-[2-(3-methylbutan-2-yloxy)ethoxy]-1,3-di(propan-2-yl)benzene;2-(3-methylbutan-2-yloxy)ethylbenzene;2-(3-methylbutan-2-yloxy)ethyl cyclohexanecarboxylate;3-methylbutan-2-yloxymethylbenzene;3-methylbutan-2-yloxymethylcyclohexane;2-(3-methylbutan-2-yloxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;1-methyl-2-[2-(3-methylbutan-2-yloxy)ethoxy]-3-(trifluoromethyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[2-(3-methylbutan-2-yloxy)ethoxy]benzene;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)ethoxybenzene;2-[2-(3-methylbutan-2-yloxy)ethoxy]-1,3-di(propan-2-yl)benzene;2-(3-methylbutan-2-yloxy)ethylbenzene;2-(3-methylbutan-2-yloxy)ethyl cyclohexanecarboxylate;3-methylbutan-2-yloxymethylbenzene;3-methylbutan-2-yloxymethylcyclohexane;2-(3-methylbutan-2-yloxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;1-methyl-2-[2-(3-methylbutan-2-yloxy)ethoxy]-3-(trifluoromethyl)benzene?
The IUPAC name of 1-cyclohexyl-4-[2-(3-methylbutan-2-yloxy)ethoxy]benzene;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)ethoxybenzene;2-[2-(3-methylbutan-2-yloxy)ethoxy]-1,3-di(propan-2-yl)benzene;2-(3-methylbutan-2-yloxy)ethylbenzene;2-(3-methylbutan-2-yloxy)ethyl cyclohexanecarboxylate;3-methylbutan-2-yloxymethylbenzene;3-methylbutan-2-yloxymethylcyclohexane;2-(3-methylbutan-2-yloxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;1-methyl-2-[2-(3-methylbutan-2-yloxy)ethoxy]-3-(trifluoromethyl)benzene (CID 157438767) is 1-cyclohexyl-4-[2-(3-methylbutan-2-yloxy)ethoxy]benzene;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)ethoxybenzene;2-[2-(3-methylbutan-2-yloxy)ethoxy]-1,3-di(propan-2-yl)benzene;2-(3-methylbutan-2-yloxy)ethylbenzene;2-(3-methylbutan-2-yloxy)ethyl cyclohexanecarboxylate;3-methylbutan-2-yloxymethylbenzene;3-methylbutan-2-yloxymethylcyclohexane;2-(3-methylbutan-2-yloxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;1-methyl-2-[2-(3-methylbutan-2-yloxy)ethoxy]-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-cyclohexyl-4-[2-(3-methylbutan-2-yloxy)ethoxy]benzene;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)ethoxybenzene;2-[2-(3-methylbutan-2-yloxy)ethoxy]-1,3-di(propan-2-yl)benzene;2-(3-methylbutan-2-yloxy)ethylbenzene;2-(3-methylbutan-2-yloxy)ethyl cyclohexanecarboxylate;3-methylbutan-2-yloxymethylbenzene;3-methylbutan-2-yloxymethylcyclohexane;2-(3-methylbutan-2-yloxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;1-methyl-2-[2-(3-methylbutan-2-yloxy)ethoxy]-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-cyclohexyl-4-[2-(3-methylbutan-2-yloxy)ethoxy]benzene;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)ethoxybenzene;2-[2-(3-methylbutan-2-yloxy)ethoxy]-1,3-di(propan-2-yl)benzene;2-(3-methylbutan-2-yloxy)ethylbenzene;2-(3-methylbutan-2-yloxy)ethyl cyclohexanecarboxylate;3-methylbutan-2-yloxymethylbenzene;3-methylbutan-2-yloxymethylcyclohexane;2-(3-methylbutan-2-yloxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;1-methyl-2-[2-(3-methylbutan-2-yloxy)ethoxy]-3-(trifluoromethyl)benzene is CC(C)C(C)OC12CC3CC(CC(C3)C1)C2.CC(C)C(C)OC1C2CC3C(=O)OC1C3C2.CC(C)C(C)OCC1CCCCC1.CC(C)C(C)OCCOC(=O)C1CCCCC1.CC(C)C(C)OCCOc1ccc(C2CCCCC2)cc1.CC(C)C(C)OCCOc1ccccc1.CC(C)C(C)OCCc1ccccc1.CC(C)C(C)OCc1ccccc1.CC(C)c1cccc(C(C)C)c1OCCOC(C)C(C)C.Cc1cccc(C(F)(F)F)c1OCCOC(C)C(C)C.
What is the InChIKey of 1-cyclohexyl-4-[2-(3-methylbutan-2-yloxy)ethoxy]benzene;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)ethoxybenzene;2-[2-(3-methylbutan-2-yloxy)ethoxy]-1,3-di(propan-2-yl)benzene;2-(3-methylbutan-2-yloxy)ethylbenzene;2-(3-methylbutan-2-yloxy)ethyl cyclohexanecarboxylate;3-methylbutan-2-yloxymethylbenzene;3-methylbutan-2-yloxymethylcyclohexane;2-(3-methylbutan-2-yloxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;1-methyl-2-[2-(3-methylbutan-2-yloxy)ethoxy]-3-(trifluoromethyl)benzene?
The InChIKey is BRKMTODOTMKXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2.C19H32O2.C15H21F3O2.C15H26O.C14H26O3.C13H20O3.C13H20O2.C13H20O.C12H24O.C12H18O/c1-15(2)16(3)20-13-14-21-19-11-9-18(10-12-19)17-7-5-4-6-8-17;1-13(2)16(7)20-11-12-21-19-17(14(3)4)9-8-10-18(19)15(5)6;1-10(2)12(4)19-8-9-20-14-11(3)6-5-7-13(14)15(16,17)18;1-10(2)11(3)16-15-7-12-4-13(8-15)6-14(5-12)9-15;1-11(2)12(3)16-9-10-17-14(15)13-7-5-4-6-8-13;1-6(2)7(3)15-11-8-4-9-10(5-8)13(14)16-12(9)11;1-11(2)12(3)14-9-10-15-13-7-5-4-6-8-13;1-11(2)12(3)14-10-9-13-7-5-4-6-8-13;2*1-10(2)11(3)13-9-12-7-5-4-6-8-12/h9-12,15-17H,4-8,13-14H2,1-3H3;8-10,13-16H,11-12H2,1-7H3;5-7,10,12H,8-9H2,1-4H3;10-14H,4-9H2,1-3H3;11-13H,4-10H2,1-3H3;6-12H,4-5H2,1-3H3;4-8,11-12H,9-10H2,1-3H3;4-8,11-12H,9-10H2,1-3H3;10-12H,4-9H2,1-3H3;4-8,10-11H,9H2,1-3H3.
What are the key properties of 1-cyclohexyl-4-[2-(3-methylbutan-2-yloxy)ethoxy]benzene;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)ethoxybenzene;2-[2-(3-methylbutan-2-yloxy)ethoxy]-1,3-di(propan-2-yl)benzene;2-(3-methylbutan-2-yloxy)ethylbenzene;2-(3-methylbutan-2-yloxy)ethyl cyclohexanecarboxylate;3-methylbutan-2-yloxymethylbenzene;3-methylbutan-2-yloxymethylcyclohexane;2-(3-methylbutan-2-yloxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;1-methyl-2-[2-(3-methylbutan-2-yloxy)ethoxy]-3-(trifluoromethyl)benzene?
1-cyclohexyl-4-[2-(3-methylbutan-2-yloxy)ethoxy]benzene;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)ethoxybenzene;2-[2-(3-methylbutan-2-yloxy)ethoxy]-1,3-di(propan-2-yl)benzene;2-(3-methylbutan-2-yloxy)ethylbenzene;2-(3-methylbutan-2-yloxy)ethyl cyclohexanecarboxylate;3-methylbutan-2-yloxymethylbenzene;3-methylbutan-2-yloxymethylcyclohexane;2-(3-methylbutan-2-yloxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;1-methyl-2-[2-(3-methylbutan-2-yloxy)ethoxy]-3-(trifluoromethyl)benzene has a molecular weight of 2325.47 g/mol, XLogP of 37.48, 52 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[2-(3-methylbutan-2-yloxy)ethoxy]benzene;1-(3-methylbutan-2-yloxy)adamantane;2-(3-methylbutan-2-yloxy)ethoxybenzene;2-[2-(3-methylbutan-2-yloxy)ethoxy]-1,3-di(propan-2-yl)benzene;2-(3-methylbutan-2-yloxy)ethylbenzene;2-(3-methylbutan-2-yloxy)ethyl cyclohexanecarboxylate;3-methylbutan-2-yloxymethylbenzene;3-methylbutan-2-yloxymethylcyclohexane;2-(3-methylbutan-2-yloxy)-4-oxatricyclo[4.2.1.03,7]nonan-5-one;1-methyl-2-[2-(3-methylbutan-2-yloxy)ethoxy]-3-(trifluoromethyl)benzene is sourced from PubChem (CID 157438767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).