3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;4-(4-tert-butylphenoxy)piperidine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane

C148H225F3N6O7 — CID 157252748

IUPAC3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;4-(4-tert-butylphenoxy)piperidine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane
SMILESCC(=O)N1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CC(C)(C)c1ccc(OC2CCNCC2)cc1.CC(C)(C)c1cccc(C2CCOCC2)c1.CC(C)(C)c1cccc(CC2CCN(CC(F)(F)F)C2)c1.CC(C)(C)c1cccc(CC2CCOCC2O)c1.CC(C)N1CCC(Cc2cccc(C(C)(C)C)c2)C1.CC(C)N1CCC(Cc2cccc(C(C)(C)C)c2)CC1.Cc1ccc(CC2CCOC2)cc1C(C)(C)C.Cc1ccc(CC2COC2)cc1C(C)(C)C
InChIInChI=1S/C19H31N.C18H29N.C17H24F3N.C17H26N2O.C16H24O2.C16H24O.C15H23NO.2C15H22O/c1-15(2)20-11-9-16(10-12-20)13-17-7-6-8-18(14-17)19(3,4)5;1-14(2)19-10-9-16(13-19)11-15-7-6-8-17(12-15)18(3,4)5;1-16(2,3)15-6-4-5-13(10-15)9-14-7-8-21(11-14)12-17(18,19)20;1-14(20)19-10-8-18(9-11-19)13-15-6-5-7-16(12-15)17(2,3)4;1-16(2,3)14-6-4-5-12(10-14)9-13-7-8-18-11-15(13)17;1-12-5-6-13(9-14-7-8-17-11-14)10-15(12)16(2,3)4;1-15(2,3)12-4-6-13(7-5-12)17-14-8-10-16-11-9-14;1-11-5-6-12(7-13-9-16-10-13)8-14(11)15(2,3)4;1-15(2,3)14-6-4-5-13(11-14)12-7-9-16-10-8-12/h6-8,14-16H,9-13H2,1-5H3;6-8,12,14,16H,9-11,13H2,1-5H3;4-6,10,14H,7-9,11-12H2,1-3H3;5-7,12H,8-11,13H2,1-4H3;4-6,10,13,15,17H,7-9,11H2,1-3H3;5-6,10,14H,7-9,11H2,1-4H3;4-7,14,16H,8-11H2,1-3H3;5-6,8,13H,7,9-10H2,1-4H3;4-6,11-12H,7-10H2,1-3H3
InChIKeyAWNHNXMLWZDMJN-UHFFFAOYSA-N
MW2257.46 g/mol
LogP33.23
Rot. Bonds20

About 3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;4-(4-tert-butylphenoxy)piperidine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane

3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;4-(4-tert-butylphenoxy)piperidine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane (PubChem CID 157252748) has the molecular formula C148H225F3N6O7 and a molecular weight of 2257.46 g/mol. Its IUPAC name is 3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;4-(4-tert-butylphenoxy)piperidine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane.

Molecular Properties

Compound Name3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;4-(4-tert-butylphenoxy)piperidine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane
PubChem CID157252748
Molecular FormulaC148H225F3N6O7
Molecular Weight2257.46 g/mol
Exact Mass2255.74
IUPAC Name3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;4-(4-tert-butylphenoxy)piperidine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane
SMILESCC(=O)N1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CC(C)(C)c1ccc(OC2CCNCC2)cc1.CC(C)(C)c1cccc(C2CCOCC2)c1.CC(C)(C)c1cccc(CC2CCN(CC(F)(F)F)C2)c1.CC(C)(C)c1cccc(CC2CCOCC2O)c1.CC(C)N1CCC(Cc2cccc(C(C)(C)C)c2)C1.CC(C)N1CCC(Cc2cccc(C(C)(C)C)c2)CC1.Cc1ccc(CC2CCOC2)cc1C(C)(C)C.Cc1ccc(CC2COC2)cc1C(C)(C)C
InChIInChI=1S/C19H31N.C18H29N.C17H24F3N.C17H26N2O.C16H24O2.C16H24O.C15H23NO.2C15H22O/c1-15(2)20-11-9-16(10-12-20)13-17-7-6-8-18(14-17)19(3,4)5;1-14(2)19-10-9-16(13-19)11-15-7-6-8-17(12-15)18(3,4)5;1-16(2,3)15-6-4-5-13(10-15)9-14-7-8-21(11-14)12-17(18,19)20;1-14(20)19-10-8-18(9-11-19)13-15-6-5-7-16(12-15)17(2,3)4;1-16(2,3)14-6-4-5-12(10-14)9-13-7-8-18-11-15(13)17;1-12-5-6-13(9-14-7-8-17-11-14)10-15(12)16(2,3)4;1-15(2,3)12-4-6-13(7-5-12)17-14-8-10-16-11-9-14;1-11-5-6-12(7-13-9-16-10-13)8-14(11)15(2,3)4;1-15(2,3)14-6-4-5-13(11-14)12-7-9-16-10-8-12/h6-8,14-16H,9-13H2,1-5H3;6-8,12,14,16H,9-11,13H2,1-5H3;4-6,10,14H,7-9,11-12H2,1-3H3;5-7,12H,8-11,13H2,1-4H3;4-6,10,13,15,17H,7-9,11H2,1-3H3;5-6,10,14H,7-9,11H2,1-4H3;4-7,14,16H,8-11H2,1-3H3;5-6,8,13H,7,9-10H2,1-4H3;4-6,11-12H,7-10H2,1-3H3
InChIKeyAWNHNXMLWZDMJN-UHFFFAOYSA-N
XLogP33.23
TPSA111.68 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002257.46
LogP ≤ 533.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;4-(4-tert-butylphenoxy)piperidine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane with MolForge

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Related Compounds

3-[(3-Tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]piperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane
CID 157168481
3-[(3-Tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;4-(4-tert-butylphenoxy)-1-methylpiperidine;4-(4-tert-butylphenoxy)piperidine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane
CID 157790454
3-[(3-Tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]piperidine;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane
CID 158118130
1-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(3-hydroxyoxan-4-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methyl-5-(oxetan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methyl-5-(oxolan-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(oxan-4-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-piperidin-4-yloxybenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide
CID 158693096
3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)piperidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;4-[(3-tert-butylphenyl)methyl]oxane;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone
CID 158696480
4-(4-Tert-butylphenoxy)-1-methylpiperidine;4-(4-tert-butylphenoxy)-1-methylsulfonylpiperidine;4-(4-tert-butylphenoxy)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanone;4-(4-tert-butylphenoxy)-1-propan-2-ylpiperidine;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 159009023
3-[(3-Tert-butyl-4-methylphenyl)methyl]oxetane;4-(4-tert-butylphenoxy)-1-methylpiperidine;4-(4-tert-butylphenoxy)piperidine;4-(4-tert-butylphenoxy)-1-propan-2-ylpiperidine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane
CID 159023316
3-[(3-Tert-butyl-4-methylphenyl)methyl]oxetane;4-(4-tert-butylphenoxy)-1-methylpiperidine;4-(4-tert-butylphenoxy)piperidine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;3-[(3-tert-butylphenyl)methyl]oxolane;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane
CID 159205539
4-(4-Tert-butylphenoxy)piperidine;1-[(3-tert-butylphenyl)methyl]-4-methylsulfonylpiperazine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;3-[(3-tert-butylphenyl)methyl]oxetane;3-[(3-tert-butylphenyl)methyl]oxolane;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]piperidine;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;1-[(3-tert-butylphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane
CID 159512362
CID 159636002
CID 159636002
3-[(3-Tert-butyl-4-methylphenyl)methyl]oxetane;4-(3-tert-butyl-4-methylphenyl)oxane;4-(4-tert-butylphenoxy)-1-methylpiperidine;4-(4-tert-butylphenoxy)piperidine;4-(4-tert-butylphenoxy)-1-propan-2-ylpiperidine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 159695238
3-[(3-Tert-butyl-4-methylphenyl)methyl]oxetane;4-(4-tert-butylphenoxy)-1-methylpiperidine;4-(4-tert-butylphenoxy)piperidine;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanone;4-(4-tert-butylphenoxy)-1-propan-2-ylpiperidine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane
CID 160034969

Frequently Asked Questions

What is the IUPAC name of 3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;4-(4-tert-butylphenoxy)piperidine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane?
The IUPAC name of 3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;4-(4-tert-butylphenoxy)piperidine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane (CID 157252748) is 3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;4-(4-tert-butylphenoxy)piperidine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane.
What is the SMILES notation for 3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;4-(4-tert-butylphenoxy)piperidine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane?
The canonical SMILES for 3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;4-(4-tert-butylphenoxy)piperidine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane is CC(=O)N1CCN(Cc2cccc(C(C)(C)C)c2)CC1.CC(C)(C)c1ccc(OC2CCNCC2)cc1.CC(C)(C)c1cccc(C2CCOCC2)c1.CC(C)(C)c1cccc(CC2CCN(CC(F)(F)F)C2)c1.CC(C)(C)c1cccc(CC2CCOCC2O)c1.CC(C)N1CCC(Cc2cccc(C(C)(C)C)c2)C1.CC(C)N1CCC(Cc2cccc(C(C)(C)C)c2)CC1.Cc1ccc(CC2CCOC2)cc1C(C)(C)C.Cc1ccc(CC2COC2)cc1C(C)(C)C.
What is the InChIKey of 3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;4-(4-tert-butylphenoxy)piperidine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane?
The InChIKey is AWNHNXMLWZDMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N.C18H29N.C17H24F3N.C17H26N2O.C16H24O2.C16H24O.C15H23NO.2C15H22O/c1-15(2)20-11-9-16(10-12-20)13-17-7-6-8-18(14-17)19(3,4)5;1-14(2)19-10-9-16(13-19)11-15-7-6-8-17(12-15)18(3,4)5;1-16(2,3)15-6-4-5-13(10-15)9-14-7-8-21(11-14)12-17(18,19)20;1-14(20)19-10-8-18(9-11-19)13-15-6-5-7-16(12-15)17(2,3)4;1-16(2,3)14-6-4-5-12(10-14)9-13-7-8-18-11-15(13)17;1-12-5-6-13(9-14-7-8-17-11-14)10-15(12)16(2,3)4;1-15(2,3)12-4-6-13(7-5-12)17-14-8-10-16-11-9-14;1-11-5-6-12(7-13-9-16-10-13)8-14(11)15(2,3)4;1-15(2,3)14-6-4-5-13(11-14)12-7-9-16-10-8-12/h6-8,14-16H,9-13H2,1-5H3;6-8,12,14,16H,9-11,13H2,1-5H3;4-6,10,14H,7-9,11-12H2,1-3H3;5-7,12H,8-11,13H2,1-4H3;4-6,10,13,15,17H,7-9,11H2,1-3H3;5-6,10,14H,7-9,11H2,1-4H3;4-7,14,16H,8-11H2,1-3H3;5-6,8,13H,7,9-10H2,1-4H3;4-6,11-12H,7-10H2,1-3H3.
What are the key properties of 3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;4-(4-tert-butylphenoxy)piperidine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane?
3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;4-(4-tert-butylphenoxy)piperidine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane has a molecular weight of 2257.46 g/mol, XLogP of 33.23, 20 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-tert-butyl-4-methylphenyl)methyl]oxetane;3-[(3-tert-butyl-4-methylphenyl)methyl]oxolane;4-(4-tert-butylphenoxy)piperidine;4-[(3-tert-butylphenyl)methyl]oxan-3-ol;1-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanone;4-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-propan-2-ylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine;4-(3-tert-butylphenyl)oxane is sourced from PubChem (CID 157252748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).