1-bromo-4-propan-2-ylbenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-2-cyclopentyl-1-fluorobenzene;5-(5-tert-butyl-2-fluorophenyl)-3-methyl-1,2,4-oxadiazole;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-chloro-4-propan-2-ylbenzene;cumene;1,4-di(propan-2-yl)benzene;2-fluoro-5-propan-2-ylaniline;1-(methoxymethyl)-4-propan-2-ylbenzene;bis(1-methoxy-4-propan-2-ylbenzene);methyl (E)-3-(2-fluoro-5-propan-2-ylphenyl)prop-2-enoate;bis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-propan-2-ylnaphthalene;(4-propan-2-ylphenyl)methanol

C195H256BrCl2F8N3O7S — CID 159690009

About 1-bromo-4-propan-2-ylbenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-2-cyclopentyl-1-fluorobenzene;5-(5-tert-butyl-2-fluorophenyl)-3-methyl-1,2,4-oxadiazole;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-chloro-4-propan-2-ylbenzene;cumene;1,4-di(propan-2-yl)benzene;2-fluoro-5-propan-2-ylaniline;1-(methoxymethyl)-4-propan-2-ylbenzene;bis(1-methoxy-4-propan-2-ylbenzene);methyl (E)-3-(2-fluoro-5-propan-2-ylphenyl)prop-2-enoate;bis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-propan-2-ylnaphthalene;(4-propan-2-ylphenyl)methanol

1-bromo-4-propan-2-ylbenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-2-cyclopentyl-1-fluorobenzene;5-(5-tert-butyl-2-fluorophenyl)-3-methyl-1,2,4-oxadiazole;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-chloro-4-propan-2-ylbenzene;cumene;1,4-di(propan-2-yl)benzene;2-fluoro-5-propan-2-ylaniline;1-(methoxymethyl)-4-propan-2-ylbenzene;bis(1-methoxy-4-propan-2-ylbenzene);methyl (E)-3-(2-fluoro-5-propan-2-ylphenyl)prop-2-enoate;bis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-propan-2-ylnaphthalene;(4-propan-2-ylphenyl)methanol (PubChem CID 159690009) has the molecular formula C195H256BrCl2F8N3O7S and a molecular weight of 3089.07 g/mol. Its IUPAC name is 1-bromo-4-propan-2-ylbenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-2-cyclopentyl-1-fluorobenzene;5-(5-tert-butyl-2-fluorophenyl)-3-methyl-1,2,4-oxadiazole;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-chloro-4-propan-2-ylbenzene;cumene;1,4-di(propan-2-yl)benzene;2-fluoro-5-propan-2-ylaniline;1-(methoxymethyl)-4-propan-2-ylbenzene;bis(1-methoxy-4-propan-2-ylbenzene);methyl (E)-3-(2-fluoro-5-propan-2-ylphenyl)prop-2-enoate;bis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-propan-2-ylnaphthalene;(4-propan-2-ylphenyl)methanol.

Molecular Properties

• Compound Name: 1-bromo-4-propan-2-ylbenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-2-cyclopentyl-1-fluorobenzene;5-(5-tert-butyl-2-fluorophenyl)-3-methyl-1,2,4-oxadiazole;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-chloro-4-propan-2-ylbenzene;cumene;1,4-di(propan-2-yl)benzene;2-fluoro-5-propan-2-ylaniline;1-(methoxymethyl)-4-propan-2-ylbenzene;bis(1-methoxy-4-propan-2-ylbenzene);methyl (E)-3-(2-fluoro-5-propan-2-ylphenyl)prop-2-enoate;bis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-propan-2-ylnaphthalene;(4-propan-2-ylphenyl)methanol
• PubChem CID: 159690009
• Molecular Formula: C195H256BrCl2F8N3O7S
• Molecular Weight: 3089.07 g/mol
• Exact Mass: 3084.79
• IUPAC Name: 1-bromo-4-propan-2-ylbenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-2-cyclopentyl-1-fluorobenzene;5-(5-tert-butyl-2-fluorophenyl)-3-methyl-1,2,4-oxadiazole;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-chloro-4-propan-2-ylbenzene;cumene;1,4-di(propan-2-yl)benzene;2-fluoro-5-propan-2-ylaniline;1-(methoxymethyl)-4-propan-2-ylbenzene;bis(1-methoxy-4-propan-2-ylbenzene);methyl (E)-3-(2-fluoro-5-propan-2-ylphenyl)prop-2-enoate;bis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-propan-2-ylnaphthalene;(4-propan-2-ylphenyl)methanol
• SMILES: CC(C)(C)c1ccc(F)c(C2CCCC2)c1.CC(C)(C)c1ccc(F)c(Cl)c1.CC(C)c1ccc(Br)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(CO)cc1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)c(N)c1.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.COC(=O)/C=C/c1cc(C(C)C)ccc1F.COCc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1.CSc1ccc(C(C)C)cc1.Cc1ccc(C(C)(C)C)cc1C(F)(F)F.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1noc(-c2cc(C(C)(C)C)ccc2F)n1
• InChI: InChI=1S/C15H21F.C13H15FN2O.C13H15FO2.C13H14.C12H15F3.C12H18.C11H16O.C10H12ClF.3C10H14O.C10H14S.2C10H14.C9H11Br.C9H11Cl.C9H12FN.C9H12/c1-15(2,3)12-8-9-14(16)13(10-12)11-6-4-5-7-11;1-8-15-12(17-16-8)10-7-9(13(2,3)4)5-6-11(10)14;1-9(2)10-4-6-12(14)11(8-10)5-7-13(15)16-3;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-8-5-6-9(11(2,3)4)7-10(8)12(13,14)15;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-4-10(5-7-11)8-12-3;1-10(2,3)7-4-5-9(12)8(11)6-7;2*1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)9-4-6-10(11-3)7-5-9;2*1-8(2)10-6-4-9(3)5-7-10;2*1-7(2)8-3-5-9(10)6-4-8;1-6(2)7-3-4-8(10)9(11)5-7;1-8(2)9-6-4-3-5-7-9/h8-11H,4-7H2,1-3H3;5-7H,1-4H3;4-9H,1-3H3;3-10H,1-2H3;5-7H,1-4H3;5-10H,1-4H3;4-7,9H,8H2,1-3H3;4-6H,1-3H3;2*4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;4-8H,1-3H3;2*4-8H,1-3H3;2*3-7H,1-2H3;3-6H,11H2,1-2H3;3-8H,1-2H3/b;;7-5+
• InChIKey: MWHCYVIOKNVERZ-ANUYDEJCSA-N
• XLogP: 60.42
• TPSA: 139.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 25
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3089.07
LogP ≤ 5	60.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-propan-2-ylbenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-2-cyclopentyl-1-fluorobenzene;5-(5-tert-butyl-2-fluorophenyl)-3-methyl-1,2,4-oxadiazole;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-chloro-4-propan-2-ylbenzene;cumene;1,4-di(propan-2-yl)benzene;2-fluoro-5-propan-2-ylaniline;1-(methoxymethyl)-4-propan-2-ylbenzene;bis(1-methoxy-4-propan-2-ylbenzene);methyl (E)-3-(2-fluoro-5-propan-2-ylphenyl)prop-2-enoate;bis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-propan-2-ylnaphthalene;(4-propan-2-ylphenyl)methanol?

The IUPAC name of 1-bromo-4-propan-2-ylbenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-2-cyclopentyl-1-fluorobenzene;5-(5-tert-butyl-2-fluorophenyl)-3-methyl-1,2,4-oxadiazole;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-chloro-4-propan-2-ylbenzene;cumene;1,4-di(propan-2-yl)benzene;2-fluoro-5-propan-2-ylaniline;1-(methoxymethyl)-4-propan-2-ylbenzene;bis(1-methoxy-4-propan-2-ylbenzene);methyl (E)-3-(2-fluoro-5-propan-2-ylphenyl)prop-2-enoate;bis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-propan-2-ylnaphthalene;(4-propan-2-ylphenyl)methanol (CID 159690009) is 1-bromo-4-propan-2-ylbenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-2-cyclopentyl-1-fluorobenzene;5-(5-tert-butyl-2-fluorophenyl)-3-methyl-1,2,4-oxadiazole;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-chloro-4-propan-2-ylbenzene;cumene;1,4-di(propan-2-yl)benzene;2-fluoro-5-propan-2-ylaniline;1-(methoxymethyl)-4-propan-2-ylbenzene;bis(1-methoxy-4-propan-2-ylbenzene);methyl (E)-3-(2-fluoro-5-propan-2-ylphenyl)prop-2-enoate;bis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-propan-2-ylnaphthalene;(4-propan-2-ylphenyl)methanol.

What is the SMILES notation for 1-bromo-4-propan-2-ylbenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-2-cyclopentyl-1-fluorobenzene;5-(5-tert-butyl-2-fluorophenyl)-3-methyl-1,2,4-oxadiazole;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-chloro-4-propan-2-ylbenzene;cumene;1,4-di(propan-2-yl)benzene;2-fluoro-5-propan-2-ylaniline;1-(methoxymethyl)-4-propan-2-ylbenzene;bis(1-methoxy-4-propan-2-ylbenzene);methyl (E)-3-(2-fluoro-5-propan-2-ylphenyl)prop-2-enoate;bis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-propan-2-ylnaphthalene;(4-propan-2-ylphenyl)methanol?

The canonical SMILES for 1-bromo-4-propan-2-ylbenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-2-cyclopentyl-1-fluorobenzene;5-(5-tert-butyl-2-fluorophenyl)-3-methyl-1,2,4-oxadiazole;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-chloro-4-propan-2-ylbenzene;cumene;1,4-di(propan-2-yl)benzene;2-fluoro-5-propan-2-ylaniline;1-(methoxymethyl)-4-propan-2-ylbenzene;bis(1-methoxy-4-propan-2-ylbenzene);methyl (E)-3-(2-fluoro-5-propan-2-ylphenyl)prop-2-enoate;bis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-propan-2-ylnaphthalene;(4-propan-2-ylphenyl)methanol is CC(C)(C)c1ccc(F)c(C2CCCC2)c1.CC(C)(C)c1ccc(F)c(Cl)c1.CC(C)c1ccc(Br)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(CO)cc1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)c(N)c1.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.COC(=O)/C=C/c1cc(C(C)C)ccc1F.COCc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1.CSc1ccc(C(C)C)cc1.Cc1ccc(C(C)(C)C)cc1C(F)(F)F.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1noc(-c2cc(C(C)(C)C)ccc2F)n1.

What is the InChIKey of 1-bromo-4-propan-2-ylbenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-2-cyclopentyl-1-fluorobenzene;5-(5-tert-butyl-2-fluorophenyl)-3-methyl-1,2,4-oxadiazole;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-chloro-4-propan-2-ylbenzene;cumene;1,4-di(propan-2-yl)benzene;2-fluoro-5-propan-2-ylaniline;1-(methoxymethyl)-4-propan-2-ylbenzene;bis(1-methoxy-4-propan-2-ylbenzene);methyl (E)-3-(2-fluoro-5-propan-2-ylphenyl)prop-2-enoate;bis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-propan-2-ylnaphthalene;(4-propan-2-ylphenyl)methanol?

The InChIKey is MWHCYVIOKNVERZ-ANUYDEJCSA-N. The full InChI is InChI=1S/C15H21F.C13H15FN2O.C13H15FO2.C13H14.C12H15F3.C12H18.C11H16O.C10H12ClF.3C10H14O.C10H14S.2C10H14.C9H11Br.C9H11Cl.C9H12FN.C9H12/c1-15(2,3)12-8-9-14(16)13(10-12)11-6-4-5-7-11;1-8-15-12(17-16-8)10-7-9(13(2,3)4)5-6-11(10)14;1-9(2)10-4-6-12(14)11(8-10)5-7-13(15)16-3;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-8-5-6-9(11(2,3)4)7-10(8)12(13,14)15;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-4-10(5-7-11)8-12-3;1-10(2,3)7-4-5-9(12)8(11)6-7;2*1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)9-4-6-10(11-3)7-5-9;2*1-8(2)10-6-4-9(3)5-7-10;2*1-7(2)8-3-5-9(10)6-4-8;1-6(2)7-3-4-8(10)9(11)5-7;1-8(2)9-6-4-3-5-7-9/h8-11H,4-7H2,1-3H3;5-7H,1-4H3;4-9H,1-3H3;3-10H,1-2H3;5-7H,1-4H3;5-10H,1-4H3;4-7,9H,8H2,1-3H3;4-6H,1-3H3;2*4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;4-8H,1-3H3;2*4-8H,1-3H3;2*3-7H,1-2H3;3-6H,11H2,1-2H3;3-8H,1-2H3/b;;7-5+;;;;;;;;;;;;;;;.

What are the key properties of 1-bromo-4-propan-2-ylbenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-2-cyclopentyl-1-fluorobenzene;5-(5-tert-butyl-2-fluorophenyl)-3-methyl-1,2,4-oxadiazole;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-chloro-4-propan-2-ylbenzene;cumene;1,4-di(propan-2-yl)benzene;2-fluoro-5-propan-2-ylaniline;1-(methoxymethyl)-4-propan-2-ylbenzene;bis(1-methoxy-4-propan-2-ylbenzene);methyl (E)-3-(2-fluoro-5-propan-2-ylphenyl)prop-2-enoate;bis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-propan-2-ylnaphthalene;(4-propan-2-ylphenyl)methanol?

1-bromo-4-propan-2-ylbenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-2-cyclopentyl-1-fluorobenzene;5-(5-tert-butyl-2-fluorophenyl)-3-methyl-1,2,4-oxadiazole;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-chloro-4-propan-2-ylbenzene;cumene;1,4-di(propan-2-yl)benzene;2-fluoro-5-propan-2-ylaniline;1-(methoxymethyl)-4-propan-2-ylbenzene;bis(1-methoxy-4-propan-2-ylbenzene);methyl (E)-3-(2-fluoro-5-propan-2-ylphenyl)prop-2-enoate;bis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-propan-2-ylnaphthalene;(4-propan-2-ylphenyl)methanol has a molecular weight of 3089.07 g/mol, XLogP of 60.42, 25 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-4-propan-2-ylbenzene;4-tert-butyl-2-chloro-1-fluorobenzene;4-tert-butyl-2-cyclopentyl-1-fluorobenzene;5-(5-tert-butyl-2-fluorophenyl)-3-methyl-1,2,4-oxadiazole;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;1-chloro-4-propan-2-ylbenzene;cumene;1,4-di(propan-2-yl)benzene;2-fluoro-5-propan-2-ylaniline;1-(methoxymethyl)-4-propan-2-ylbenzene;bis(1-methoxy-4-propan-2-ylbenzene);methyl (E)-3-(2-fluoro-5-propan-2-ylphenyl)prop-2-enoate;bis(1-methyl-4-propan-2-ylbenzene);1-methylsulfanyl-4-propan-2-ylbenzene;1-propan-2-ylnaphthalene;(4-propan-2-ylphenyl)methanol is sourced from PubChem (CID 159690009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).