5-tert-butyl-3,3-dimethyl-1H-2-benzofuran;5-tert-butyl-3,3-dimethyl-2-benzofuran-1-one;5-tert-butyl-3-methyl-1H-indene;5-tert-butyl-2-(2-methylpropyl)-1,3-dihydroisoindole;2-butyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3,3-dimethylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2,2-dimethylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-methylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3-methylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-methyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-methylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-phenylethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-phenylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3-phenylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;5-propan-2-ylquinoline;2,4,4-trimethyl-2-(2-propan-2-ylphenyl)-3H-chromene

C267H378N12O4 — CID 160854394

IUPAC5-tert-butyl-3,3-dimethyl-1H-2-benzofuran;5-tert-butyl-3,3-dimethyl-2-benzofuran-1-one;5-tert-butyl-3-methyl-1H-indene;5-tert-butyl-2-(2-methylpropyl)-1,3-dihydroisoindole;2-butyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3,3-dimethylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2,2-dimethylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-methylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3-methylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-methyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-methylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-phenylethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-phenylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3-phenylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;5-propan-2-ylquinoline;2,4,4-trimethyl-2-(2-propan-2-ylphenyl)-3H-chromene
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)OC2.CC(C)(C)c1ccc2c(c1)C(C)(C)OC2=O.CC(C)CCN1CCc2c(cccc2C(C)C)C1.CC(C)CN1CCc2c(cccc2C(C)C)C1.CC(C)CN1Cc2ccc(C(C)(C)C)cc2C1.CC(C)c1cccc2c1CCN(C)C2.CC(C)c1cccc2c1CCN(CC(C)(C)C)C2.CC(C)c1cccc2c1CCN(CC(C)c1ccccc1)C2.CC(C)c1cccc2c1CCN(CCC(C)(C)C)C2.CC(C)c1cccc2c1CCN(CCCc1ccccc1)C2.CC(C)c1cccc2c1CCN(CCc1ccccc1)C2.CC(C)c1cccc2ncccc12.CC(C)c1ccccc1C1(C)CC(C)(C)c2ccccc2O1.CC1=CCc2ccc(C(C)(C)C)cc21.CCC(C)CN1CCc2c(cccc2C(C)C)C1.CCCCN1CCc2c(cccc2C(C)C)C1
InChIInChI=1S/2C21H27N.C21H26O.C20H25N.C18H29N.3C17H27N.3C16H25N.C14H18O2.C14H20O.C14H18.C13H19N.C12H13N/c1-16(2)20-11-7-10-19-15-22(13-12-21(19)20)14-17(3)18-8-5-4-6-9-18;1-17(2)20-12-6-11-19-16-22(15-13-21(19)20)14-7-10-18-8-4-3-5-9-18;1-15(2)16-10-6-7-11-17(16)21(5)14-20(3,4)18-12-8-9-13-19(18)22-21;1-16(2)19-10-6-9-18-15-21(14-12-20(18)19)13-11-17-7-4-3-5-8-17;1-14(2)16-8-6-7-15-13-19(11-9-17(15)16)12-10-18(3,4)5;1-13(2)15-8-6-7-14-11-18(10-9-16(14)15)12-17(3,4)5;1-13(2)8-10-18-11-9-17-15(12-18)6-5-7-16(17)14(3)4;1-5-14(4)11-18-10-9-17-15(12-18)7-6-8-16(17)13(2)3;1-12(2)9-17-10-13-6-7-15(16(3,4)5)8-14(13)11-17;1-12(2)10-17-9-8-16-14(11-17)6-5-7-15(16)13(3)4;1-4-5-10-17-11-9-16-14(12-17)7-6-8-15(16)13(2)3;1-13(2,3)9-6-7-10-11(8-9)14(4,5)16-12(10)15;1-13(2,3)11-7-6-10-9-15-14(4,5)12(10)8-11;1-10-5-6-11-7-8-12(9-13(10)11)14(2,3)4;1-10(2)12-6-4-5-11-9-14(3)8-7-13(11)12;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12/h4-11,16-17H,12-15H2,1-3H3;3-6,8-9,11-12,17H,7,10,13-16H2,1-2H3;6-13,15H,14H2,1-5H3;3-10,16H,11-15H2,1-2H3;6-8,14H,9-13H2,1-5H3;6-8,13H,9-12H2,1-5H3;5-7,13-14H,8-12H2,1-4H3;6-8,13-14H,5,9-12H2,1-4H3;6-8,12H,9-11H2,1-5H3;5-7,12-13H,8-11H2,1-4H3;6-8,13H,4-5,9-12H2,1-3H3;6-8H,1-5H3;6-8H,9H2,1-5H3;5,7-9H,6H2,1-4H3;4-6,10H,7-9H2,1-3H3;3-9H,1-2H3
InChIKeySJRHYJKMZLQVDN-UHFFFAOYSA-N
MW3820.04 g/mol
LogP66.20
Rot. Bonds39

About 5-tert-butyl-3,3-dimethyl-1H-2-benzofuran;5-tert-butyl-3,3-dimethyl-2-benzofuran-1-one;5-tert-butyl-3-methyl-1H-indene;5-tert-butyl-2-(2-methylpropyl)-1,3-dihydroisoindole;2-butyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3,3-dimethylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2,2-dimethylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-methylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3-methylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-methyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-methylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-phenylethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-phenylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3-phenylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;5-propan-2-ylquinoline;2,4,4-trimethyl-2-(2-propan-2-ylphenyl)-3H-chromene

5-tert-butyl-3,3-dimethyl-1H-2-benzofuran;5-tert-butyl-3,3-dimethyl-2-benzofuran-1-one;5-tert-butyl-3-methyl-1H-indene;5-tert-butyl-2-(2-methylpropyl)-1,3-dihydroisoindole;2-butyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3,3-dimethylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2,2-dimethylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-methylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3-methylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-methyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-methylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-phenylethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-phenylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3-phenylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;5-propan-2-ylquinoline;2,4,4-trimethyl-2-(2-propan-2-ylphenyl)-3H-chromene (PubChem CID 160854394) has the molecular formula C267H378N12O4 and a molecular weight of 3820.04 g/mol. Its IUPAC name is 5-tert-butyl-3,3-dimethyl-1H-2-benzofuran;5-tert-butyl-3,3-dimethyl-2-benzofuran-1-one;5-tert-butyl-3-methyl-1H-indene;5-tert-butyl-2-(2-methylpropyl)-1,3-dihydroisoindole;2-butyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3,3-dimethylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2,2-dimethylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-methylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3-methylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-methyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-methylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-phenylethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-phenylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3-phenylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;5-propan-2-ylquinoline;2,4,4-trimethyl-2-(2-propan-2-ylphenyl)-3H-chromene.

Molecular Properties

Compound Name5-tert-butyl-3,3-dimethyl-1H-2-benzofuran;5-tert-butyl-3,3-dimethyl-2-benzofuran-1-one;5-tert-butyl-3-methyl-1H-indene;5-tert-butyl-2-(2-methylpropyl)-1,3-dihydroisoindole;2-butyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3,3-dimethylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2,2-dimethylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-methylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3-methylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-methyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-methylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-phenylethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-phenylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3-phenylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;5-propan-2-ylquinoline;2,4,4-trimethyl-2-(2-propan-2-ylphenyl)-3H-chromene
PubChem CID160854394
Molecular FormulaC267H378N12O4
Molecular Weight3820.04 g/mol
Exact Mass3816.97
IUPAC Name5-tert-butyl-3,3-dimethyl-1H-2-benzofuran;5-tert-butyl-3,3-dimethyl-2-benzofuran-1-one;5-tert-butyl-3-methyl-1H-indene;5-tert-butyl-2-(2-methylpropyl)-1,3-dihydroisoindole;2-butyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3,3-dimethylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2,2-dimethylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-methylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3-methylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-methyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-methylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-phenylethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-phenylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3-phenylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;5-propan-2-ylquinoline;2,4,4-trimethyl-2-(2-propan-2-ylphenyl)-3H-chromene
SMILESCC(C)(C)c1ccc2c(c1)C(C)(C)OC2.CC(C)(C)c1ccc2c(c1)C(C)(C)OC2=O.CC(C)CCN1CCc2c(cccc2C(C)C)C1.CC(C)CN1CCc2c(cccc2C(C)C)C1.CC(C)CN1Cc2ccc(C(C)(C)C)cc2C1.CC(C)c1cccc2c1CCN(C)C2.CC(C)c1cccc2c1CCN(CC(C)(C)C)C2.CC(C)c1cccc2c1CCN(CC(C)c1ccccc1)C2.CC(C)c1cccc2c1CCN(CCC(C)(C)C)C2.CC(C)c1cccc2c1CCN(CCCc1ccccc1)C2.CC(C)c1cccc2c1CCN(CCc1ccccc1)C2.CC(C)c1cccc2ncccc12.CC(C)c1ccccc1C1(C)CC(C)(C)c2ccccc2O1.CC1=CCc2ccc(C(C)(C)C)cc21.CCC(C)CN1CCc2c(cccc2C(C)C)C1.CCCCN1CCc2c(cccc2C(C)C)C1
InChIInChI=1S/2C21H27N.C21H26O.C20H25N.C18H29N.3C17H27N.3C16H25N.C14H18O2.C14H20O.C14H18.C13H19N.C12H13N/c1-16(2)20-11-7-10-19-15-22(13-12-21(19)20)14-17(3)18-8-5-4-6-9-18;1-17(2)20-12-6-11-19-16-22(15-13-21(19)20)14-7-10-18-8-4-3-5-9-18;1-15(2)16-10-6-7-11-17(16)21(5)14-20(3,4)18-12-8-9-13-19(18)22-21;1-16(2)19-10-6-9-18-15-21(14-12-20(18)19)13-11-17-7-4-3-5-8-17;1-14(2)16-8-6-7-15-13-19(11-9-17(15)16)12-10-18(3,4)5;1-13(2)15-8-6-7-14-11-18(10-9-16(14)15)12-17(3,4)5;1-13(2)8-10-18-11-9-17-15(12-18)6-5-7-16(17)14(3)4;1-5-14(4)11-18-10-9-17-15(12-18)7-6-8-16(17)13(2)3;1-12(2)9-17-10-13-6-7-15(16(3,4)5)8-14(13)11-17;1-12(2)10-17-9-8-16-14(11-17)6-5-7-15(16)13(3)4;1-4-5-10-17-11-9-16-14(12-17)7-6-8-15(16)13(2)3;1-13(2,3)9-6-7-10-11(8-9)14(4,5)16-12(10)15;1-13(2,3)11-7-6-10-9-15-14(4,5)12(10)8-11;1-10-5-6-11-7-8-12(9-13(10)11)14(2,3)4;1-10(2)12-6-4-5-11-9-14(3)8-7-13(11)12;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12/h4-11,16-17H,12-15H2,1-3H3;3-6,8-9,11-12,17H,7,10,13-16H2,1-2H3;6-13,15H,14H2,1-5H3;3-10,16H,11-15H2,1-2H3;6-8,14H,9-13H2,1-5H3;6-8,13H,9-12H2,1-5H3;5-7,13-14H,8-12H2,1-4H3;6-8,13-14H,5,9-12H2,1-4H3;6-8,12H,9-11H2,1-5H3;5-7,12-13H,8-11H2,1-4H3;6-8,13H,4-5,9-12H2,1-3H3;6-8H,1-5H3;6-8H,9H2,1-5H3;5,7-9H,6H2,1-4H3;4-6,10H,7-9H2,1-3H3;3-9H,1-2H3
InChIKeySJRHYJKMZLQVDN-UHFFFAOYSA-N
XLogP66.20
TPSA93.29 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds39
Heavy Atoms283
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003820.04
LogP ≤ 566.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 5-tert-butyl-3,3-dimethyl-1H-2-benzofuran;5-tert-butyl-3,3-dimethyl-2-benzofuran-1-one;5-tert-butyl-3-methyl-1H-indene;5-tert-butyl-2-(2-methylpropyl)-1,3-dihydroisoindole;2-butyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3,3-dimethylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2,2-dimethylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-methylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3-methylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-methyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-methylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-phenylethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-phenylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3-phenylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;5-propan-2-ylquinoline;2,4,4-trimethyl-2-(2-propan-2-ylphenyl)-3H-chromene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3,3-dimethyl-1H-2-benzofuran;5-tert-butyl-3,3-dimethyl-2-benzofuran-1-one;5-tert-butyl-3-methyl-1H-indene;5-tert-butyl-2-(2-methylpropyl)-1,3-dihydroisoindole;2-butyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3,3-dimethylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2,2-dimethylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-methylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3-methylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-methyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-methylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-phenylethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-phenylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3-phenylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;5-propan-2-ylquinoline;2,4,4-trimethyl-2-(2-propan-2-ylphenyl)-3H-chromene?
The IUPAC name of 5-tert-butyl-3,3-dimethyl-1H-2-benzofuran;5-tert-butyl-3,3-dimethyl-2-benzofuran-1-one;5-tert-butyl-3-methyl-1H-indene;5-tert-butyl-2-(2-methylpropyl)-1,3-dihydroisoindole;2-butyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3,3-dimethylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2,2-dimethylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-methylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3-methylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-methyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-methylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-phenylethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-phenylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3-phenylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;5-propan-2-ylquinoline;2,4,4-trimethyl-2-(2-propan-2-ylphenyl)-3H-chromene (CID 160854394) is 5-tert-butyl-3,3-dimethyl-1H-2-benzofuran;5-tert-butyl-3,3-dimethyl-2-benzofuran-1-one;5-tert-butyl-3-methyl-1H-indene;5-tert-butyl-2-(2-methylpropyl)-1,3-dihydroisoindole;2-butyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3,3-dimethylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2,2-dimethylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-methylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3-methylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-methyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-methylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-phenylethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-phenylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3-phenylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;5-propan-2-ylquinoline;2,4,4-trimethyl-2-(2-propan-2-ylphenyl)-3H-chromene.
What is the SMILES notation for 5-tert-butyl-3,3-dimethyl-1H-2-benzofuran;5-tert-butyl-3,3-dimethyl-2-benzofuran-1-one;5-tert-butyl-3-methyl-1H-indene;5-tert-butyl-2-(2-methylpropyl)-1,3-dihydroisoindole;2-butyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3,3-dimethylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2,2-dimethylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-methylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3-methylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-methyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-methylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-phenylethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-phenylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3-phenylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;5-propan-2-ylquinoline;2,4,4-trimethyl-2-(2-propan-2-ylphenyl)-3H-chromene?
The canonical SMILES for 5-tert-butyl-3,3-dimethyl-1H-2-benzofuran;5-tert-butyl-3,3-dimethyl-2-benzofuran-1-one;5-tert-butyl-3-methyl-1H-indene;5-tert-butyl-2-(2-methylpropyl)-1,3-dihydroisoindole;2-butyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3,3-dimethylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2,2-dimethylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-methylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3-methylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-methyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-methylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-phenylethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-phenylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3-phenylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;5-propan-2-ylquinoline;2,4,4-trimethyl-2-(2-propan-2-ylphenyl)-3H-chromene is CC(C)(C)c1ccc2c(c1)C(C)(C)OC2.CC(C)(C)c1ccc2c(c1)C(C)(C)OC2=O.CC(C)CCN1CCc2c(cccc2C(C)C)C1.CC(C)CN1CCc2c(cccc2C(C)C)C1.CC(C)CN1Cc2ccc(C(C)(C)C)cc2C1.CC(C)c1cccc2c1CCN(C)C2.CC(C)c1cccc2c1CCN(CC(C)(C)C)C2.CC(C)c1cccc2c1CCN(CC(C)c1ccccc1)C2.CC(C)c1cccc2c1CCN(CCC(C)(C)C)C2.CC(C)c1cccc2c1CCN(CCCc1ccccc1)C2.CC(C)c1cccc2c1CCN(CCc1ccccc1)C2.CC(C)c1cccc2ncccc12.CC(C)c1ccccc1C1(C)CC(C)(C)c2ccccc2O1.CC1=CCc2ccc(C(C)(C)C)cc21.CCC(C)CN1CCc2c(cccc2C(C)C)C1.CCCCN1CCc2c(cccc2C(C)C)C1.
What is the InChIKey of 5-tert-butyl-3,3-dimethyl-1H-2-benzofuran;5-tert-butyl-3,3-dimethyl-2-benzofuran-1-one;5-tert-butyl-3-methyl-1H-indene;5-tert-butyl-2-(2-methylpropyl)-1,3-dihydroisoindole;2-butyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3,3-dimethylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2,2-dimethylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-methylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3-methylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-methyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-methylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-phenylethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-phenylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3-phenylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;5-propan-2-ylquinoline;2,4,4-trimethyl-2-(2-propan-2-ylphenyl)-3H-chromene?
The InChIKey is SJRHYJKMZLQVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H27N.C21H26O.C20H25N.C18H29N.3C17H27N.3C16H25N.C14H18O2.C14H20O.C14H18.C13H19N.C12H13N/c1-16(2)20-11-7-10-19-15-22(13-12-21(19)20)14-17(3)18-8-5-4-6-9-18;1-17(2)20-12-6-11-19-16-22(15-13-21(19)20)14-7-10-18-8-4-3-5-9-18;1-15(2)16-10-6-7-11-17(16)21(5)14-20(3,4)18-12-8-9-13-19(18)22-21;1-16(2)19-10-6-9-18-15-21(14-12-20(18)19)13-11-17-7-4-3-5-8-17;1-14(2)16-8-6-7-15-13-19(11-9-17(15)16)12-10-18(3,4)5;1-13(2)15-8-6-7-14-11-18(10-9-16(14)15)12-17(3,4)5;1-13(2)8-10-18-11-9-17-15(12-18)6-5-7-16(17)14(3)4;1-5-14(4)11-18-10-9-17-15(12-18)7-6-8-16(17)13(2)3;1-12(2)9-17-10-13-6-7-15(16(3,4)5)8-14(13)11-17;1-12(2)10-17-9-8-16-14(11-17)6-5-7-15(16)13(3)4;1-4-5-10-17-11-9-16-14(12-17)7-6-8-15(16)13(2)3;1-13(2,3)9-6-7-10-11(8-9)14(4,5)16-12(10)15;1-13(2,3)11-7-6-10-9-15-14(4,5)12(10)8-11;1-10-5-6-11-7-8-12(9-13(10)11)14(2,3)4;1-10(2)12-6-4-5-11-9-14(3)8-7-13(11)12;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12/h4-11,16-17H,12-15H2,1-3H3;3-6,8-9,11-12,17H,7,10,13-16H2,1-2H3;6-13,15H,14H2,1-5H3;3-10,16H,11-15H2,1-2H3;6-8,14H,9-13H2,1-5H3;6-8,13H,9-12H2,1-5H3;5-7,13-14H,8-12H2,1-4H3;6-8,13-14H,5,9-12H2,1-4H3;6-8,12H,9-11H2,1-5H3;5-7,12-13H,8-11H2,1-4H3;6-8,13H,4-5,9-12H2,1-3H3;6-8H,1-5H3;6-8H,9H2,1-5H3;5,7-9H,6H2,1-4H3;4-6,10H,7-9H2,1-3H3;3-9H,1-2H3.
What are the key properties of 5-tert-butyl-3,3-dimethyl-1H-2-benzofuran;5-tert-butyl-3,3-dimethyl-2-benzofuran-1-one;5-tert-butyl-3-methyl-1H-indene;5-tert-butyl-2-(2-methylpropyl)-1,3-dihydroisoindole;2-butyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3,3-dimethylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2,2-dimethylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-methylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3-methylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-methyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-methylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-phenylethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-phenylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3-phenylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;5-propan-2-ylquinoline;2,4,4-trimethyl-2-(2-propan-2-ylphenyl)-3H-chromene?
5-tert-butyl-3,3-dimethyl-1H-2-benzofuran;5-tert-butyl-3,3-dimethyl-2-benzofuran-1-one;5-tert-butyl-3-methyl-1H-indene;5-tert-butyl-2-(2-methylpropyl)-1,3-dihydroisoindole;2-butyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3,3-dimethylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2,2-dimethylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-methylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3-methylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-methyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-methylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-phenylethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-phenylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3-phenylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;5-propan-2-ylquinoline;2,4,4-trimethyl-2-(2-propan-2-ylphenyl)-3H-chromene has a molecular weight of 3820.04 g/mol, XLogP of 66.20, 39 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3,3-dimethyl-1H-2-benzofuran;5-tert-butyl-3,3-dimethyl-2-benzofuran-1-one;5-tert-butyl-3-methyl-1H-indene;5-tert-butyl-2-(2-methylpropyl)-1,3-dihydroisoindole;2-butyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3,3-dimethylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2,2-dimethylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-methylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3-methylbutyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-methyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-methylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-phenylethyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(2-phenylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-(3-phenylpropyl)-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;5-propan-2-ylquinoline;2,4,4-trimethyl-2-(2-propan-2-ylphenyl)-3H-chromene is sourced from PubChem (CID 160854394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).