2-tert-butyl-4-cyclopenta-1,4-dien-1-yl-1-methylbenzene;(2-tert-butyl-4-cyclopenta-1,4-dien-1-ylphenyl)methanol;(4-tert-butyl-1H-inden-5-yl)methanol;2-(2-tert-butyl-6-methylphenyl)furan;5-(3-tert-butyl-4-methylphenyl)-2H-pyrrole;(5-tert-butyl-2H-pyrrol-4-yl)methanol;[2-tert-butyl-4-(2H-pyrrol-5-yl)phenyl]methanol;(2-tert-butylthiophen-3-yl)methanol;N,2-dimethyl-6-propan-2-ylaniline;methane;1-(4-methyl-3-propan-2-ylphenyl)pyrazole

C138H196N6O6S — CID 159597884

About 2-tert-butyl-4-cyclopenta-1,4-dien-1-yl-1-methylbenzene;(2-tert-butyl-4-cyclopenta-1,4-dien-1-ylphenyl)methanol;(4-tert-butyl-1H-inden-5-yl)methanol;2-(2-tert-butyl-6-methylphenyl)furan;5-(3-tert-butyl-4-methylphenyl)-2H-pyrrole;(5-tert-butyl-2H-pyrrol-4-yl)methanol;[2-tert-butyl-4-(2H-pyrrol-5-yl)phenyl]methanol;(2-tert-butylthiophen-3-yl)methanol;N,2-dimethyl-6-propan-2-ylaniline;methane;1-(4-methyl-3-propan-2-ylphenyl)pyrazole

2-tert-butyl-4-cyclopenta-1,4-dien-1-yl-1-methylbenzene;(2-tert-butyl-4-cyclopenta-1,4-dien-1-ylphenyl)methanol;(4-tert-butyl-1H-inden-5-yl)methanol;2-(2-tert-butyl-6-methylphenyl)furan;5-(3-tert-butyl-4-methylphenyl)-2H-pyrrole;(5-tert-butyl-2H-pyrrol-4-yl)methanol;[2-tert-butyl-4-(2H-pyrrol-5-yl)phenyl]methanol;(2-tert-butylthiophen-3-yl)methanol;N,2-dimethyl-6-propan-2-ylaniline;methane;1-(4-methyl-3-propan-2-ylphenyl)pyrazole (PubChem CID 159597884) has the molecular formula C138H196N6O6S and a molecular weight of 2067.19 g/mol. Its IUPAC name is 2-tert-butyl-4-cyclopenta-1,4-dien-1-yl-1-methylbenzene;(2-tert-butyl-4-cyclopenta-1,4-dien-1-ylphenyl)methanol;(4-tert-butyl-1H-inden-5-yl)methanol;2-(2-tert-butyl-6-methylphenyl)furan;5-(3-tert-butyl-4-methylphenyl)-2H-pyrrole;(5-tert-butyl-2H-pyrrol-4-yl)methanol;[2-tert-butyl-4-(2H-pyrrol-5-yl)phenyl]methanol;(2-tert-butylthiophen-3-yl)methanol;N,2-dimethyl-6-propan-2-ylaniline;methane;1-(4-methyl-3-propan-2-ylphenyl)pyrazole.

Molecular Properties

• Compound Name: 2-tert-butyl-4-cyclopenta-1,4-dien-1-yl-1-methylbenzene;(2-tert-butyl-4-cyclopenta-1,4-dien-1-ylphenyl)methanol;(4-tert-butyl-1H-inden-5-yl)methanol;2-(2-tert-butyl-6-methylphenyl)furan;5-(3-tert-butyl-4-methylphenyl)-2H-pyrrole;(5-tert-butyl-2H-pyrrol-4-yl)methanol;[2-tert-butyl-4-(2H-pyrrol-5-yl)phenyl]methanol;(2-tert-butylthiophen-3-yl)methanol;N,2-dimethyl-6-propan-2-ylaniline;methane;1-(4-methyl-3-propan-2-ylphenyl)pyrazole
• PubChem CID: 159597884
• Molecular Formula: C138H196N6O6S
• Molecular Weight: 2067.19 g/mol
• Exact Mass: 2065.49
• IUPAC Name: 2-tert-butyl-4-cyclopenta-1,4-dien-1-yl-1-methylbenzene;(2-tert-butyl-4-cyclopenta-1,4-dien-1-ylphenyl)methanol;(4-tert-butyl-1H-inden-5-yl)methanol;2-(2-tert-butyl-6-methylphenyl)furan;5-(3-tert-butyl-4-methylphenyl)-2H-pyrrole;(5-tert-butyl-2H-pyrrol-4-yl)methanol;[2-tert-butyl-4-(2H-pyrrol-5-yl)phenyl]methanol;(2-tert-butylthiophen-3-yl)methanol;N,2-dimethyl-6-propan-2-ylaniline;methane;1-(4-methyl-3-propan-2-ylphenyl)pyrazole
• SMILES: C.C.C.C.C.CC(C)(C)C1=NCC=C1CO.CC(C)(C)c1c(CO)ccc2c1C=CC2.CC(C)(C)c1cc(C2=CCC=C2)ccc1CO.CC(C)(C)c1cc(C2=NCC=C2)ccc1CO.CC(C)(C)c1sccc1CO.CNc1c(C)cccc1C(C)C.Cc1ccc(-n2cccn2)cc1C(C)C.Cc1ccc(C2=CCC=C2)cc1C(C)(C)C.Cc1ccc(C2=NCC=C2)cc1C(C)(C)C.Cc1cccc(C(C)(C)C)c1-c1ccco1
• InChI: InChI=1S/C16H20O.C16H20.C15H19NO.C15H19N.C15H18O.C14H18O.C13H16N2.C11H17N.C9H15NO.C9H14OS.5CH4/c1-16(2,3)15-10-13(8-9-14(15)11-17)12-6-4-5-7-12;1-12-9-10-14(13-7-5-6-8-13)11-15(12)16(2,3)4;1-15(2,3)13-9-11(6-7-12(13)10-17)14-5-4-8-16-14;1-11-7-8-12(14-6-5-9-16-14)10-13(11)15(2,3)4;1-11-7-5-8-12(15(2,3)4)14(11)13-9-6-10-16-13;1-14(2,3)13-11(9-15)8-7-10-5-4-6-12(10)13;1-10(2)13-9-12(6-5-11(13)3)15-8-4-7-14-15;1-8(2)10-7-5-6-9(3)11(10)12-4;1-9(2,3)8-7(6-11)4-5-10-8;1-9(2,3)8-7(6-10)4-5-11-8;;;;;/h4,6-10,17H,5,11H2,1-3H3;5,7-11H,6H2,1-4H3;4-7,9,17H,8,10H2,1-3H3;5-8,10H,9H2,1-4H3;5-10H,1-4H3;4,6-8,15H,5,9H2,1-3H3;4-10H,1-3H3;5-8,12H,1-4H3;4,11H,5-6H2,1-3H3;4-5,10H,6H2,1-3H3;5*1H4
• InChIKey: MLBYQIPZDWXGMN-UHFFFAOYSA-N
• XLogP: 36.13
• TPSA: 181.22 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2067.19
LogP ≤ 5	36.13
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-cyclopenta-1,4-dien-1-yl-1-methylbenzene;(2-tert-butyl-4-cyclopenta-1,4-dien-1-ylphenyl)methanol;(4-tert-butyl-1H-inden-5-yl)methanol;2-(2-tert-butyl-6-methylphenyl)furan;5-(3-tert-butyl-4-methylphenyl)-2H-pyrrole;(5-tert-butyl-2H-pyrrol-4-yl)methanol;[2-tert-butyl-4-(2H-pyrrol-5-yl)phenyl]methanol;(2-tert-butylthiophen-3-yl)methanol;N,2-dimethyl-6-propan-2-ylaniline;methane;1-(4-methyl-3-propan-2-ylphenyl)pyrazole?

The IUPAC name of 2-tert-butyl-4-cyclopenta-1,4-dien-1-yl-1-methylbenzene;(2-tert-butyl-4-cyclopenta-1,4-dien-1-ylphenyl)methanol;(4-tert-butyl-1H-inden-5-yl)methanol;2-(2-tert-butyl-6-methylphenyl)furan;5-(3-tert-butyl-4-methylphenyl)-2H-pyrrole;(5-tert-butyl-2H-pyrrol-4-yl)methanol;[2-tert-butyl-4-(2H-pyrrol-5-yl)phenyl]methanol;(2-tert-butylthiophen-3-yl)methanol;N,2-dimethyl-6-propan-2-ylaniline;methane;1-(4-methyl-3-propan-2-ylphenyl)pyrazole (CID 159597884) is 2-tert-butyl-4-cyclopenta-1,4-dien-1-yl-1-methylbenzene;(2-tert-butyl-4-cyclopenta-1,4-dien-1-ylphenyl)methanol;(4-tert-butyl-1H-inden-5-yl)methanol;2-(2-tert-butyl-6-methylphenyl)furan;5-(3-tert-butyl-4-methylphenyl)-2H-pyrrole;(5-tert-butyl-2H-pyrrol-4-yl)methanol;[2-tert-butyl-4-(2H-pyrrol-5-yl)phenyl]methanol;(2-tert-butylthiophen-3-yl)methanol;N,2-dimethyl-6-propan-2-ylaniline;methane;1-(4-methyl-3-propan-2-ylphenyl)pyrazole.

What is the SMILES notation for 2-tert-butyl-4-cyclopenta-1,4-dien-1-yl-1-methylbenzene;(2-tert-butyl-4-cyclopenta-1,4-dien-1-ylphenyl)methanol;(4-tert-butyl-1H-inden-5-yl)methanol;2-(2-tert-butyl-6-methylphenyl)furan;5-(3-tert-butyl-4-methylphenyl)-2H-pyrrole;(5-tert-butyl-2H-pyrrol-4-yl)methanol;[2-tert-butyl-4-(2H-pyrrol-5-yl)phenyl]methanol;(2-tert-butylthiophen-3-yl)methanol;N,2-dimethyl-6-propan-2-ylaniline;methane;1-(4-methyl-3-propan-2-ylphenyl)pyrazole?

The canonical SMILES for 2-tert-butyl-4-cyclopenta-1,4-dien-1-yl-1-methylbenzene;(2-tert-butyl-4-cyclopenta-1,4-dien-1-ylphenyl)methanol;(4-tert-butyl-1H-inden-5-yl)methanol;2-(2-tert-butyl-6-methylphenyl)furan;5-(3-tert-butyl-4-methylphenyl)-2H-pyrrole;(5-tert-butyl-2H-pyrrol-4-yl)methanol;[2-tert-butyl-4-(2H-pyrrol-5-yl)phenyl]methanol;(2-tert-butylthiophen-3-yl)methanol;N,2-dimethyl-6-propan-2-ylaniline;methane;1-(4-methyl-3-propan-2-ylphenyl)pyrazole is C.C.C.C.C.CC(C)(C)C1=NCC=C1CO.CC(C)(C)c1c(CO)ccc2c1C=CC2.CC(C)(C)c1cc(C2=CCC=C2)ccc1CO.CC(C)(C)c1cc(C2=NCC=C2)ccc1CO.CC(C)(C)c1sccc1CO.CNc1c(C)cccc1C(C)C.Cc1ccc(-n2cccn2)cc1C(C)C.Cc1ccc(C2=CCC=C2)cc1C(C)(C)C.Cc1ccc(C2=NCC=C2)cc1C(C)(C)C.Cc1cccc(C(C)(C)C)c1-c1ccco1.

What is the InChIKey of 2-tert-butyl-4-cyclopenta-1,4-dien-1-yl-1-methylbenzene;(2-tert-butyl-4-cyclopenta-1,4-dien-1-ylphenyl)methanol;(4-tert-butyl-1H-inden-5-yl)methanol;2-(2-tert-butyl-6-methylphenyl)furan;5-(3-tert-butyl-4-methylphenyl)-2H-pyrrole;(5-tert-butyl-2H-pyrrol-4-yl)methanol;[2-tert-butyl-4-(2H-pyrrol-5-yl)phenyl]methanol;(2-tert-butylthiophen-3-yl)methanol;N,2-dimethyl-6-propan-2-ylaniline;methane;1-(4-methyl-3-propan-2-ylphenyl)pyrazole?

The InChIKey is MLBYQIPZDWXGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O.C16H20.C15H19NO.C15H19N.C15H18O.C14H18O.C13H16N2.C11H17N.C9H15NO.C9H14OS.5CH4/c1-16(2,3)15-10-13(8-9-14(15)11-17)12-6-4-5-7-12;1-12-9-10-14(13-7-5-6-8-13)11-15(12)16(2,3)4;1-15(2,3)13-9-11(6-7-12(13)10-17)14-5-4-8-16-14;1-11-7-8-12(14-6-5-9-16-14)10-13(11)15(2,3)4;1-11-7-5-8-12(15(2,3)4)14(11)13-9-6-10-16-13;1-14(2,3)13-11(9-15)8-7-10-5-4-6-12(10)13;1-10(2)13-9-12(6-5-11(13)3)15-8-4-7-14-15;1-8(2)10-7-5-6-9(3)11(10)12-4;1-9(2,3)8-7(6-11)4-5-10-8;1-9(2,3)8-7(6-10)4-5-11-8;;;;;/h4,6-10,17H,5,11H2,1-3H3;5,7-11H,6H2,1-4H3;4-7,9,17H,8,10H2,1-3H3;5-8,10H,9H2,1-4H3;5-10H,1-4H3;4,6-8,15H,5,9H2,1-3H3;4-10H,1-3H3;5-8,12H,1-4H3;4,11H,5-6H2,1-3H3;4-5,10H,6H2,1-3H3;5*1H4.

What are the key properties of 2-tert-butyl-4-cyclopenta-1,4-dien-1-yl-1-methylbenzene;(2-tert-butyl-4-cyclopenta-1,4-dien-1-ylphenyl)methanol;(4-tert-butyl-1H-inden-5-yl)methanol;2-(2-tert-butyl-6-methylphenyl)furan;5-(3-tert-butyl-4-methylphenyl)-2H-pyrrole;(5-tert-butyl-2H-pyrrol-4-yl)methanol;[2-tert-butyl-4-(2H-pyrrol-5-yl)phenyl]methanol;(2-tert-butylthiophen-3-yl)methanol;N,2-dimethyl-6-propan-2-ylaniline;methane;1-(4-methyl-3-propan-2-ylphenyl)pyrazole?

2-tert-butyl-4-cyclopenta-1,4-dien-1-yl-1-methylbenzene;(2-tert-butyl-4-cyclopenta-1,4-dien-1-ylphenyl)methanol;(4-tert-butyl-1H-inden-5-yl)methanol;2-(2-tert-butyl-6-methylphenyl)furan;5-(3-tert-butyl-4-methylphenyl)-2H-pyrrole;(5-tert-butyl-2H-pyrrol-4-yl)methanol;[2-tert-butyl-4-(2H-pyrrol-5-yl)phenyl]methanol;(2-tert-butylthiophen-3-yl)methanol;N,2-dimethyl-6-propan-2-ylaniline;methane;1-(4-methyl-3-propan-2-ylphenyl)pyrazole has a molecular weight of 2067.19 g/mol, XLogP of 36.13, 14 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-4-cyclopenta-1,4-dien-1-yl-1-methylbenzene;(2-tert-butyl-4-cyclopenta-1,4-dien-1-ylphenyl)methanol;(4-tert-butyl-1H-inden-5-yl)methanol;2-(2-tert-butyl-6-methylphenyl)furan;5-(3-tert-butyl-4-methylphenyl)-2H-pyrrole;(5-tert-butyl-2H-pyrrol-4-yl)methanol;[2-tert-butyl-4-(2H-pyrrol-5-yl)phenyl]methanol;(2-tert-butylthiophen-3-yl)methanol;N,2-dimethyl-6-propan-2-ylaniline;methane;1-(4-methyl-3-propan-2-ylphenyl)pyrazole is sourced from PubChem (CID 159597884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).