tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;hydrochloride

C249H357Cl4F20NO4 — CID 158244143

IUPACtris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;hydrochloride
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cc1C(N)=O.CC(C)c1ccc(O)cc1.CC(C)c1cccc(F)c1.CC(C)c1cccc2c1CCCC2.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.CC(C)c1ccccc1F.COc1ccc(C(C)C)c(C)c1.COc1ccc(C(C)C)cc1.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cl
InChIInChI=1S/C13H18.C13H14.3C11H13F3.C11H16O.3C10H13Cl.C10H11F3.C10H12FNO.4C10H13F.C10H14O.2C10H14.3C9H11F.C9H12O.C9H12.14CH4.ClH/c2*1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;3*1-7(2)10-5-4-9(6-8(10)3)11(12,13)14;1-8(2)11-6-5-10(12-4)7-9(11)3;3*1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-6(2)8-4-3-7(11)5-9(8)10(12)13;4*1-7(2)10-5-4-9(11)6-8(10)3;1-8(2)9-4-6-10(11-3)7-5-9;2*1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;;;;;;;;;;;;;;;/h5,7,9-10H,3-4,6,8H2,1-2H3;3-10H,1-2H3;3*4-7H,1-3H3;5-8H,1-4H3;3*4-7H,1-3H3;3-7H,1-2H3;3-6H,1-2H3,(H2,12,13);4*4-7H,1-3H3;4-8H,1-3H3;2*4-8H,1-3H3;3*3-7H,1-2H3;3-7,10H,1-2H3;3-8H,1-2H3;14*1H4;1H
InChIKeyWOFPQJOPDUYPSL-UHFFFAOYSA-N
MW3950.37 g/mol
LogP85.97
Rot. Bonds26

About tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;hydrochloride

tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;hydrochloride (PubChem CID 158244143) has the molecular formula C249H357Cl4F20NO4 and a molecular weight of 3950.37 g/mol. Its IUPAC name is tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;hydrochloride.

Molecular Properties

Compound Nametris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;hydrochloride
PubChem CID158244143
Molecular FormulaC249H357Cl4F20NO4
Molecular Weight3950.37 g/mol
Exact Mass3945.62
IUPAC Nametris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;hydrochloride
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cc1C(N)=O.CC(C)c1ccc(O)cc1.CC(C)c1cccc(F)c1.CC(C)c1cccc2c1CCCC2.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.CC(C)c1ccccc1F.COc1ccc(C(C)C)c(C)c1.COc1ccc(C(C)C)cc1.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cl
InChIInChI=1S/C13H18.C13H14.3C11H13F3.C11H16O.3C10H13Cl.C10H11F3.C10H12FNO.4C10H13F.C10H14O.2C10H14.3C9H11F.C9H12O.C9H12.14CH4.ClH/c2*1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;3*1-7(2)10-5-4-9(6-8(10)3)11(12,13)14;1-8(2)11-6-5-10(12-4)7-9(11)3;3*1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-6(2)8-4-3-7(11)5-9(8)10(12)13;4*1-7(2)10-5-4-9(11)6-8(10)3;1-8(2)9-4-6-10(11-3)7-5-9;2*1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;;;;;;;;;;;;;;;/h5,7,9-10H,3-4,6,8H2,1-2H3;3-10H,1-2H3;3*4-7H,1-3H3;5-8H,1-4H3;3*4-7H,1-3H3;3-7H,1-2H3;3-6H,1-2H3,(H2,12,13);4*4-7H,1-3H3;4-8H,1-3H3;2*4-8H,1-3H3;3*3-7H,1-2H3;3-7,10H,1-2H3;3-8H,1-2H3;14*1H4;1H
InChIKeyWOFPQJOPDUYPSL-UHFFFAOYSA-N
XLogP85.97
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms278
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003950.37
LogP ≤ 585.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;hydrochloride with MolForge

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Related Compounds

1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-(cyclopropylmethyl)-3-propan-2-ylbenzene;N,N-dimethyl-3-propan-2-ylbenzamide;1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;methane;2-methyl-4-propan-2-ylbenzamide;tetrakis(1-methyl-3-propan-2-ylbenzene);1-phenylmethoxy-3-propan-2-ylbenzene;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene
CID 158004108
3-tert-butyl-5-propan-2-ylbenzoic acid;1-chloro-4,5-difluoro-2-propan-2-ylbenzene;4,5-dichloro-N-methyl-2-propan-2-ylbenzamide;4,5-dichloro-2-propan-2-ylbenzoic acid;3,6-difluoro-2-propan-2-ylbenzoic acid;2-ethoxy-1-propan-2-ylnaphthalene;methyl 4,5-dichloro-2-propan-2-ylbenzoate;1-propan-2-yl-2,4-bis(trifluoromethyl)benzene;1-propan-2-ylnaphthalene;2,3,4,5-tetrafluoro-6-propan-2-ylbenzoic acid;2,3,4,6-tetrafluoro-5-propan-2-ylbenzoic acid;2,3,5,6-tetrafluoro-4-propan-2-ylbenzoic acid;1,2,4-trifluoro-5-propan-2-ylbenzene
CID 158401086
2-(5-Chloro-2-methoxyphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2-ethenylphenyl)-3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl)benzamide
CID 159008059
Tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1-ethoxy-4-propan-2-ylbenzene;tris(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;bis(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);1-propan-2-ylnaphthalene;4-propan-2-ylphenol;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;bis(1-propan-2-yl-4-(trifluoromethyl)benzene)
CID 159103262
1-chloro-3-(2-methylpropyl)benzene;cumene;1,3-difluoro-5-(2-methylpropyl)benzene;N,N-dimethyl-3-(2-methylpropyl)benzamide;1-methoxy-3-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;N-methyl-3-(2-methylpropyl)benzamide;1-methyl-3-(2-methylpropyl)benzene;3-(2-methylpropyl)benzamide;2-methylpropylbenzene;3-(2-methylpropyl)benzonitrile;3-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene
CID 159197365
2-Chloro-1-methyl-4-propan-2-ylbenzene;4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-4-propan-2-ylphenol;1,3-dimethyl-5-propan-2-ylbenzene;1-ethoxy-2-fluoro-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;2-methyl-4-propan-2-ylbenzamide;1-methyl-3-propan-2-ylbenzene;(3-methyl-5-propan-2-ylphenyl)methanol;2-(4-propan-2-ylphenyl)propan-2-ol;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethoxy)benzene;1,1,1-trifluoro-2-(3-propan-2-ylphenyl)propan-2-ol
CID 159405151
1-Chloro-2,4-dimethylbenzene;4-chloro-1,2-dimethylbenzene;1-chloro-3-fluoro-2-methylbenzene;1-chloro-3-methoxy-2-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-chloro-3-methylbenzamide;4-chloro-3-methylbenzoic acid;3-chloro-2-methylphenol;4-chloro-3-methylphenol;1-(4-chloro-3-methylphenyl)ethanone;(4-chloro-3-methylphenyl)methanol;1-chloro-2-methyl-4-(trifluoromethoxy)benzene;1-chloro-2-methyl-4-(trifluoromethyl)benzene;bis((3,4-dimethylphenyl)methanol);4-fluoro-1,2-dimethylbenzene;4-fluoro-3-methoxy-5-methylbenzoic acid;1,2,3,5-tetramethylbenzene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene
CID 159424168
Tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;1-ethoxy-4-propan-2-ylbenzene;tris(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;bis(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);1-propan-2-ylnaphthalene;4-propan-2-ylphenol;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 159595389
4-(4-Tert-butylphenyl)-2,6-di(propan-2-yl)phenol;4-(3-chloro-2-fluorophenyl)-2,6-di(propan-2-yl)phenol;4-(3-chloro-4-fluorophenyl)-2,6-di(propan-2-yl)phenol;4-(4-chlorophenyl)-2,6-di(propan-2-yl)phenol;4-(2,3-dichlorophenyl)-2,6-di(propan-2-yl)phenol;4-(2,3-difluorophenyl)-2,6-di(propan-2-yl)phenol;2,6-di(propan-2-yl)-4-[4-(trifluoromethoxy)phenyl]phenol;4-(4-fluorophenyl)-2,6-di(propan-2-yl)phenol;4-[4-hydroxy-3,5-di(propan-2-yl)phenyl]benzamide;4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenol
CID 159905039
Tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;hexakis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;bis(1-propan-2-yl-4-(trifluoromethyl)benzene)
CID 160691493
2-(3-Chloro-5-methylphenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide;2-(2,5-dichlorophenyl)-3-(4-hydroxyphenyl)-5-(trifluoromethyl)benzamide
CID 160903909
2-Tert-butyl-5-(2-methylpropyl)phenol;2-chloro-1-fluoro-4-(2-methylpropyl)benzene;2-chloro-5-(2-methylpropyl)phenol;1-(difluoromethoxy)-3-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)phenol;3-(2-methylpropyl)benzamide;4-(2-methylpropyl)phenol;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene;1-(2-methylpropyl)-3-(trifluoromethoxy)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene
CID 161021514

Frequently Asked Questions

What is the IUPAC name of tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;hydrochloride?
The IUPAC name of tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;hydrochloride (CID 158244143) is tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;hydrochloride.
What is the SMILES notation for tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;hydrochloride?
The canonical SMILES for tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;hydrochloride is C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(F)cc1C(N)=O.CC(C)c1ccc(O)cc1.CC(C)c1cccc(F)c1.CC(C)c1cccc2c1CCCC2.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.CC(C)c1ccccc1F.COc1ccc(C(C)C)c(C)c1.COc1ccc(C(C)C)cc1.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(C(F)(F)F)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(Cl)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cl.
What is the InChIKey of tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;hydrochloride?
The InChIKey is WOFPQJOPDUYPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.C13H14.3C11H13F3.C11H16O.3C10H13Cl.C10H11F3.C10H12FNO.4C10H13F.C10H14O.2C10H14.3C9H11F.C9H12O.C9H12.14CH4.ClH/c2*1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;3*1-7(2)10-5-4-9(6-8(10)3)11(12,13)14;1-8(2)11-6-5-10(12-4)7-9(11)3;3*1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-6(2)8-4-3-7(11)5-9(8)10(12)13;4*1-7(2)10-5-4-9(11)6-8(10)3;1-8(2)9-4-6-10(11-3)7-5-9;2*1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-3-5-9(10)6-4-8;1-8(2)9-6-4-3-5-7-9;;;;;;;;;;;;;;;/h5,7,9-10H,3-4,6,8H2,1-2H3;3-10H,1-2H3;3*4-7H,1-3H3;5-8H,1-4H3;3*4-7H,1-3H3;3-7H,1-2H3;3-6H,1-2H3,(H2,12,13);4*4-7H,1-3H3;4-8H,1-3H3;2*4-8H,1-3H3;3*3-7H,1-2H3;3-7,10H,1-2H3;3-8H,1-2H3;14*1H4;1H.
What are the key properties of tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;hydrochloride?
tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;hydrochloride has a molecular weight of 3950.37 g/mol, XLogP of 85.97, 26 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;tetrakis(4-fluoro-2-methyl-1-propan-2-ylbenzene);5-fluoro-2-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);1-propan-2-ylnaphthalene;4-propan-2-ylphenol;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;hydrochloride is sourced from PubChem (CID 158244143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).