5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-tert-butyl-4,5-dihydropyrazolo[1,5-a]pyridine-6-carbonitrile;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;1-tert-butyl-7-methoxyindolizine;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butyl-4-(1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol

C172H223F4N23O10S3 — CID 158121770

IUPAC5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-tert-butyl-4,5-dihydropyrazolo[1,5-a]pyridine-6-carbonitrile;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;1-tert-butyl-7-methoxyindolizine;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butyl-4-(1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC(C)(C)C1CC1c1ccc2c(c1)CCO2.CC(C)(C)C1CCCc2nc(-c3ccc(F)cc3)sc21.CC(C)(C)C1CCc2ccccc2C1O.CC(C)(C)C1N=CN=C2N=NC=C21.CC(C)(C)c1cc(F)ccc1-c1nc2ncccc2[nH]1.CC(C)(C)c1ccn(C2CCOC2=O)n1.CC(C)(C)c1cnn2c1CCC(C#N)=C2.CC(C)(C)c1nonc1-c1ncno1.CC1=C(c2ccccc2)C(C(C)(C)C)NC1.CC1CC(C(C)(C)C)c2cc(F)c(F)cc2S1(=O)=O.CCN1C(=O)C(C(C)(C)C)c2cc(C)ccc21.COc1ccn2ccc(C(C)(C)C)c2c1.Cc1nc(-c2cnc(C)s2)cc(C(C)(C)C)n1
InChIInChI=1S/C17H20FNS.C16H16FN3.C15H21NO.C15H21N.C15H20O.C14H18F2O2S.C14H20O.C13H17N3S.C13H17NO.C12H15N3.C11H16N2O2.C9H12N4.C8H10N4O2/c1-17(2,3)13-5-4-6-14-15(13)20-16(19-14)11-7-9-12(18)10-8-11;1-16(2,3)12-9-10(17)6-7-11(12)14-19-13-5-4-8-18-15(13)20-14;1-6-16-12-8-7-10(2)9-11(12)13(14(16)17)15(3,4)5;1-11-10-16-14(15(2,3)4)13(11)12-8-6-5-7-9-12;1-15(2,3)13-9-12(13)10-4-5-14-11(8-10)6-7-16-14;1-8-5-10(14(2,3)4)9-6-11(15)12(16)7-13(9)19(8,17)18;1-14(2,3)12-9-8-10-6-4-5-7-11(10)13(12)15;1-8-15-10(11-7-14-9(2)17-11)6-12(16-8)13(3,4)5;1-13(2,3)11-6-8-14-7-5-10(15-4)9-12(11)14;1-12(2,3)10-7-14-15-8-9(6-13)4-5-11(10)15;1-11(2,3)9-4-6-13(12-9)8-5-7-15-10(8)14;1-9(2,3)7-6-4-12-13-8(6)11-5-10-7;1-8(2,3)6-5(11-14-12-6)7-9-4-10-13-7/h7-10,13H,4-6H2,1-3H3;4-9H,1-3H3,(H,18,19,20);7-9,13H,6H2,1-5H3;5-9,14,16H,10H2,1-4H3;4-5,8,12-13H,6-7,9H2,1-3H3;6-8,10H,5H2,1-4H3;4-7,12-13,15H,8-9H2,1-3H3;6-7H,1-5H3;5-9H,1-4H3;7-8H,4-5H2,1-3H3;4,6,8H,5,7H2,1-3H3;4-5,7H,1-3H3;4H,1-3H3
InChIKeyFRRPTVVJZNOBTO-UHFFFAOYSA-N
MW2945.02 g/mol
LogP41.73
Rot. Bonds9

About 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-tert-butyl-4,5-dihydropyrazolo[1,5-a]pyridine-6-carbonitrile;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;1-tert-butyl-7-methoxyindolizine;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butyl-4-(1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol

5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-tert-butyl-4,5-dihydropyrazolo[1,5-a]pyridine-6-carbonitrile;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;1-tert-butyl-7-methoxyindolizine;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butyl-4-(1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 158121770) has the molecular formula C172H223F4N23O10S3 and a molecular weight of 2945.02 g/mol. Its IUPAC name is 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-tert-butyl-4,5-dihydropyrazolo[1,5-a]pyridine-6-carbonitrile;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;1-tert-butyl-7-methoxyindolizine;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butyl-4-(1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-tert-butyl-4,5-dihydropyrazolo[1,5-a]pyridine-6-carbonitrile;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;1-tert-butyl-7-methoxyindolizine;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butyl-4-(1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID158121770
Molecular FormulaC172H223F4N23O10S3
Molecular Weight2945.02 g/mol
Exact Mass2942.67
IUPAC Name5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-tert-butyl-4,5-dihydropyrazolo[1,5-a]pyridine-6-carbonitrile;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;1-tert-butyl-7-methoxyindolizine;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butyl-4-(1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC(C)(C)C1CC1c1ccc2c(c1)CCO2.CC(C)(C)C1CCCc2nc(-c3ccc(F)cc3)sc21.CC(C)(C)C1CCc2ccccc2C1O.CC(C)(C)C1N=CN=C2N=NC=C21.CC(C)(C)c1cc(F)ccc1-c1nc2ncccc2[nH]1.CC(C)(C)c1ccn(C2CCOC2=O)n1.CC(C)(C)c1cnn2c1CCC(C#N)=C2.CC(C)(C)c1nonc1-c1ncno1.CC1=C(c2ccccc2)C(C(C)(C)C)NC1.CC1CC(C(C)(C)C)c2cc(F)c(F)cc2S1(=O)=O.CCN1C(=O)C(C(C)(C)C)c2cc(C)ccc21.COc1ccn2ccc(C(C)(C)C)c2c1.Cc1nc(-c2cnc(C)s2)cc(C(C)(C)C)n1
InChIInChI=1S/C17H20FNS.C16H16FN3.C15H21NO.C15H21N.C15H20O.C14H18F2O2S.C14H20O.C13H17N3S.C13H17NO.C12H15N3.C11H16N2O2.C9H12N4.C8H10N4O2/c1-17(2,3)13-5-4-6-14-15(13)20-16(19-14)11-7-9-12(18)10-8-11;1-16(2,3)12-9-10(17)6-7-11(12)14-19-13-5-4-8-18-15(13)20-14;1-6-16-12-8-7-10(2)9-11(12)13(14(16)17)15(3,4)5;1-11-10-16-14(15(2,3)4)13(11)12-8-6-5-7-9-12;1-15(2,3)13-9-12(13)10-4-5-14-11(8-10)6-7-16-14;1-8-5-10(14(2,3)4)9-6-11(15)12(16)7-13(9)19(8,17)18;1-14(2,3)12-9-8-10-6-4-5-7-11(10)13(12)15;1-8-15-10(11-7-14-9(2)17-11)6-12(16-8)13(3,4)5;1-13(2,3)11-6-8-14-7-5-10(15-4)9-12(11)14;1-12(2,3)10-7-14-15-8-9(6-13)4-5-11(10)15;1-11(2,3)9-4-6-13(12-9)8-5-7-15-10(8)14;1-9(2,3)7-6-4-12-13-8(6)11-5-10-7;1-8(2,3)6-5(11-14-12-6)7-9-4-10-13-7/h7-10,13H,4-6H2,1-3H3;4-9H,1-3H3,(H,18,19,20);7-9,13H,6H2,1-5H3;5-9,14,16H,10H2,1-4H3;4-5,8,12-13H,6-7,9H2,1-3H3;6-8,10H,5H2,1-4H3;4-7,12-13,15H,8-9H2,1-3H3;6-7H,1-5H3;5-9H,1-4H3;7-8H,4-5H2,1-3H3;4,6,8H,5,7H2,1-3H3;4-5,7H,1-3H3;4H,1-3H3
InChIKeyFRRPTVVJZNOBTO-UHFFFAOYSA-N
XLogP41.73
TPSA415.72 Ų
H-Bond Donors3
H-Bond Acceptors33
Rotatable Bonds9
Heavy Atoms212
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002945.02
LogP ≤ 541.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1033

Analyze 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-tert-butyl-4,5-dihydropyrazolo[1,5-a]pyridine-6-carbonitrile;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;1-tert-butyl-7-methoxyindolizine;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butyl-4-(1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-tert-butyl-4,5-dihydropyrazolo[1,5-a]pyridine-6-carbonitrile;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;1-tert-butyl-7-methoxyindolizine;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butyl-4-(1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-tert-butyl-4,5-dihydropyrazolo[1,5-a]pyridine-6-carbonitrile;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;1-tert-butyl-7-methoxyindolizine;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butyl-4-(1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol (CID 158121770) is 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-tert-butyl-4,5-dihydropyrazolo[1,5-a]pyridine-6-carbonitrile;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;1-tert-butyl-7-methoxyindolizine;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butyl-4-(1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-tert-butyl-4,5-dihydropyrazolo[1,5-a]pyridine-6-carbonitrile;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;1-tert-butyl-7-methoxyindolizine;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butyl-4-(1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-tert-butyl-4,5-dihydropyrazolo[1,5-a]pyridine-6-carbonitrile;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;1-tert-butyl-7-methoxyindolizine;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butyl-4-(1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol is CC(C)(C)C1CC1c1ccc2c(c1)CCO2.CC(C)(C)C1CCCc2nc(-c3ccc(F)cc3)sc21.CC(C)(C)C1CCc2ccccc2C1O.CC(C)(C)C1N=CN=C2N=NC=C21.CC(C)(C)c1cc(F)ccc1-c1nc2ncccc2[nH]1.CC(C)(C)c1ccn(C2CCOC2=O)n1.CC(C)(C)c1cnn2c1CCC(C#N)=C2.CC(C)(C)c1nonc1-c1ncno1.CC1=C(c2ccccc2)C(C(C)(C)C)NC1.CC1CC(C(C)(C)C)c2cc(F)c(F)cc2S1(=O)=O.CCN1C(=O)C(C(C)(C)C)c2cc(C)ccc21.COc1ccn2ccc(C(C)(C)C)c2c1.Cc1nc(-c2cnc(C)s2)cc(C(C)(C)C)n1.
What is the InChIKey of 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-tert-butyl-4,5-dihydropyrazolo[1,5-a]pyridine-6-carbonitrile;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;1-tert-butyl-7-methoxyindolizine;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butyl-4-(1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is FRRPTVVJZNOBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNS.C16H16FN3.C15H21NO.C15H21N.C15H20O.C14H18F2O2S.C14H20O.C13H17N3S.C13H17NO.C12H15N3.C11H16N2O2.C9H12N4.C8H10N4O2/c1-17(2,3)13-5-4-6-14-15(13)20-16(19-14)11-7-9-12(18)10-8-11;1-16(2,3)12-9-10(17)6-7-11(12)14-19-13-5-4-8-18-15(13)20-14;1-6-16-12-8-7-10(2)9-11(12)13(14(16)17)15(3,4)5;1-11-10-16-14(15(2,3)4)13(11)12-8-6-5-7-9-12;1-15(2,3)13-9-12(13)10-4-5-14-11(8-10)6-7-16-14;1-8-5-10(14(2,3)4)9-6-11(15)12(16)7-13(9)19(8,17)18;1-14(2,3)12-9-8-10-6-4-5-7-11(10)13(12)15;1-8-15-10(11-7-14-9(2)17-11)6-12(16-8)13(3,4)5;1-13(2,3)11-6-8-14-7-5-10(15-4)9-12(11)14;1-12(2,3)10-7-14-15-8-9(6-13)4-5-11(10)15;1-11(2,3)9-4-6-13(12-9)8-5-7-15-10(8)14;1-9(2,3)7-6-4-12-13-8(6)11-5-10-7;1-8(2,3)6-5(11-14-12-6)7-9-4-10-13-7/h7-10,13H,4-6H2,1-3H3;4-9H,1-3H3,(H,18,19,20);7-9,13H,6H2,1-5H3;5-9,14,16H,10H2,1-4H3;4-5,8,12-13H,6-7,9H2,1-3H3;6-8,10H,5H2,1-4H3;4-7,12-13,15H,8-9H2,1-3H3;6-7H,1-5H3;5-9H,1-4H3;7-8H,4-5H2,1-3H3;4,6,8H,5,7H2,1-3H3;4-5,7H,1-3H3;4H,1-3H3.
What are the key properties of 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-tert-butyl-4,5-dihydropyrazolo[1,5-a]pyridine-6-carbonitrile;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;1-tert-butyl-7-methoxyindolizine;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butyl-4-(1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol?
5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-tert-butyl-4,5-dihydropyrazolo[1,5-a]pyridine-6-carbonitrile;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;1-tert-butyl-7-methoxyindolizine;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butyl-4-(1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 2945.02 g/mol, XLogP of 41.73, 9 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butylcyclopropyl)-2,3-dihydro-1-benzofuran;4-tert-butyl-6,7-difluoro-2-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide;3-tert-butyl-4,5-dihydropyrazolo[1,5-a]pyridine-6-carbonitrile;3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;2-(2-tert-butyl-4-fluorophenyl)-1H-imidazo[4,5-b]pyridine;7-tert-butyl-2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;1-tert-butyl-7-methoxyindolizine;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butyl-4-(1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 158121770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).