1-chloro-4-fluoro-2-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-3-propan-2-ylphenol;1,4-dichloro-2-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,6-dimethyl-7-propan-2-ylindazole;2,4-dimethyl-3-propan-2-ylphenol;1-fluoro-4-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;4-methoxy-1-methyl-2-propan-2-ylbenzene;5-methyl-4-propan-2-yl-1H-indazole;1-methyl-8-propan-2-ylnaphthalene;4-methyl-3-propan-2-ylphenol;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene

C216H269Cl6F15N4O7 — CID 157120504

IUPAC1-chloro-4-fluoro-2-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-3-propan-2-ylphenol;1,4-dichloro-2-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,6-dimethyl-7-propan-2-ylindazole;2,4-dimethyl-3-propan-2-ylphenol;1-fluoro-4-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;4-methoxy-1-methyl-2-propan-2-ylbenzene;5-methyl-4-propan-2-yl-1H-indazole;1-methyl-8-propan-2-ylnaphthalene;4-methyl-3-propan-2-ylphenol;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene
SMILESCC(C)c1c(F)cccc1F.CC(C)c1c(O)cccc1F.CC(C)c1cc(Cl)ccc1Cl.CC(C)c1cc(Cl)ccc1F.CC(C)c1cc(F)ccc1Cl.CC(C)c1cc(F)ccc1F.CC(C)c1cc(O)ccc1Cl.CC(C)c1cc(O)ccc1F.CC(C)c1cccc(C(F)F)c1.CC(C)c1cccc2ccccc12.COc1ccc(C)c(C(C)C)c1.COc1ccc(F)c(C(C)C)c1.Cc1ccc(C(F)(F)F)cc1C(C)C.Cc1ccc(Cl)cc1C(C)C.Cc1ccc(F)cc1C(C)C.Cc1ccc(O)c(C)c1C(C)C.Cc1ccc(O)cc1C(C)C.Cc1ccc2[nH]ncc2c1C(C)C.Cc1ccc2cnn(C)c2c1C(C)C.Cc1cccc(C)c1C(C)C.Cc1cccc2cccc(C(C)C)c12
InChIInChI=1S/C14H16.C13H14.C12H16N2.C11H13F3.C11H14N2.2C11H16O.C11H16.C10H13Cl.C10H12F2.C10H13FO.C10H13F.C10H14O.C9H10Cl2.2C9H10ClF.C9H11ClO.2C9H10F2.2C9H11FO/c1-10(2)13-9-5-8-12-7-4-6-11(3)14(12)13;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-8(2)11-9(3)5-6-10-7-13-14(4)12(10)11;1-7(2)10-6-9(11(12,13)14)5-4-8(10)3;1-7(2)11-8(3)4-5-10-9(11)6-12-13-10;1-8(2)11-7-10(12-4)6-5-9(11)3;1-7(2)11-8(3)5-6-10(12)9(11)4;1-8(2)11-9(3)6-5-7-10(11)4;1-7(2)10-6-9(11)5-4-8(10)3;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)9-6-8(12-3)4-5-10(9)11;2*1-7(2)10-6-9(11)5-4-8(10)3;1-6(2)8-5-7(10)3-4-9(8)11;1-6(2)8-5-7(11)3-4-9(8)10;1-6(2)8-5-7(10)3-4-9(8)11;1-6(2)8-5-7(11)3-4-9(8)10;1-6(2)8-5-7(10)3-4-9(8)11;1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)8-5-7(11)3-4-9(8)10;1-6(2)9-7(10)4-3-5-8(9)11/h4-10H,1-3H3;3-10H,1-2H3;5-8H,1-4H3;4-7H,1-3H3;4-7H,1-3H3,(H,12,13);5-8H,1-4H3;5-7,12H,1-4H3;5-8H,1-4H3;4-7H,1-3H3;3-7,10H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;4-7,11H,1-3H3;3*3-6H,1-2H3;3-6,11H,1-2H3;2*3-6H,1-2H3;2*3-6,11H,1-2H3
InChIKeyAHXKLFJNZFDEFK-UHFFFAOYSA-N
MW3531.24 g/mol
LogP70.59
Rot. Bonds24

About 1-chloro-4-fluoro-2-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-3-propan-2-ylphenol;1,4-dichloro-2-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,6-dimethyl-7-propan-2-ylindazole;2,4-dimethyl-3-propan-2-ylphenol;1-fluoro-4-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;4-methoxy-1-methyl-2-propan-2-ylbenzene;5-methyl-4-propan-2-yl-1H-indazole;1-methyl-8-propan-2-ylnaphthalene;4-methyl-3-propan-2-ylphenol;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene

1-chloro-4-fluoro-2-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-3-propan-2-ylphenol;1,4-dichloro-2-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,6-dimethyl-7-propan-2-ylindazole;2,4-dimethyl-3-propan-2-ylphenol;1-fluoro-4-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;4-methoxy-1-methyl-2-propan-2-ylbenzene;5-methyl-4-propan-2-yl-1H-indazole;1-methyl-8-propan-2-ylnaphthalene;4-methyl-3-propan-2-ylphenol;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene (PubChem CID 157120504) has the molecular formula C216H269Cl6F15N4O7 and a molecular weight of 3531.24 g/mol. Its IUPAC name is 1-chloro-4-fluoro-2-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-3-propan-2-ylphenol;1,4-dichloro-2-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,6-dimethyl-7-propan-2-ylindazole;2,4-dimethyl-3-propan-2-ylphenol;1-fluoro-4-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;4-methoxy-1-methyl-2-propan-2-ylbenzene;5-methyl-4-propan-2-yl-1H-indazole;1-methyl-8-propan-2-ylnaphthalene;4-methyl-3-propan-2-ylphenol;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene.

Molecular Properties

Compound Name1-chloro-4-fluoro-2-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-3-propan-2-ylphenol;1,4-dichloro-2-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,6-dimethyl-7-propan-2-ylindazole;2,4-dimethyl-3-propan-2-ylphenol;1-fluoro-4-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;4-methoxy-1-methyl-2-propan-2-ylbenzene;5-methyl-4-propan-2-yl-1H-indazole;1-methyl-8-propan-2-ylnaphthalene;4-methyl-3-propan-2-ylphenol;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene
PubChem CID157120504
Molecular FormulaC216H269Cl6F15N4O7
Molecular Weight3531.24 g/mol
Exact Mass3525.87
IUPAC Name1-chloro-4-fluoro-2-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-3-propan-2-ylphenol;1,4-dichloro-2-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,6-dimethyl-7-propan-2-ylindazole;2,4-dimethyl-3-propan-2-ylphenol;1-fluoro-4-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;4-methoxy-1-methyl-2-propan-2-ylbenzene;5-methyl-4-propan-2-yl-1H-indazole;1-methyl-8-propan-2-ylnaphthalene;4-methyl-3-propan-2-ylphenol;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene
SMILESCC(C)c1c(F)cccc1F.CC(C)c1c(O)cccc1F.CC(C)c1cc(Cl)ccc1Cl.CC(C)c1cc(Cl)ccc1F.CC(C)c1cc(F)ccc1Cl.CC(C)c1cc(F)ccc1F.CC(C)c1cc(O)ccc1Cl.CC(C)c1cc(O)ccc1F.CC(C)c1cccc(C(F)F)c1.CC(C)c1cccc2ccccc12.COc1ccc(C)c(C(C)C)c1.COc1ccc(F)c(C(C)C)c1.Cc1ccc(C(F)(F)F)cc1C(C)C.Cc1ccc(Cl)cc1C(C)C.Cc1ccc(F)cc1C(C)C.Cc1ccc(O)c(C)c1C(C)C.Cc1ccc(O)cc1C(C)C.Cc1ccc2[nH]ncc2c1C(C)C.Cc1ccc2cnn(C)c2c1C(C)C.Cc1cccc(C)c1C(C)C.Cc1cccc2cccc(C(C)C)c12
InChIInChI=1S/C14H16.C13H14.C12H16N2.C11H13F3.C11H14N2.2C11H16O.C11H16.C10H13Cl.C10H12F2.C10H13FO.C10H13F.C10H14O.C9H10Cl2.2C9H10ClF.C9H11ClO.2C9H10F2.2C9H11FO/c1-10(2)13-9-5-8-12-7-4-6-11(3)14(12)13;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-8(2)11-9(3)5-6-10-7-13-14(4)12(10)11;1-7(2)10-6-9(11(12,13)14)5-4-8(10)3;1-7(2)11-8(3)4-5-10-9(11)6-12-13-10;1-8(2)11-7-10(12-4)6-5-9(11)3;1-7(2)11-8(3)5-6-10(12)9(11)4;1-8(2)11-9(3)6-5-7-10(11)4;1-7(2)10-6-9(11)5-4-8(10)3;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)9-6-8(12-3)4-5-10(9)11;2*1-7(2)10-6-9(11)5-4-8(10)3;1-6(2)8-5-7(10)3-4-9(8)11;1-6(2)8-5-7(11)3-4-9(8)10;1-6(2)8-5-7(10)3-4-9(8)11;1-6(2)8-5-7(11)3-4-9(8)10;1-6(2)8-5-7(10)3-4-9(8)11;1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)8-5-7(11)3-4-9(8)10;1-6(2)9-7(10)4-3-5-8(9)11/h4-10H,1-3H3;3-10H,1-2H3;5-8H,1-4H3;4-7H,1-3H3;4-7H,1-3H3,(H,12,13);5-8H,1-4H3;5-7,12H,1-4H3;5-8H,1-4H3;4-7H,1-3H3;3-7,10H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;4-7,11H,1-3H3;3*3-6H,1-2H3;3-6,11H,1-2H3;2*3-6H,1-2H3;2*3-6,11H,1-2H3
InChIKeyAHXKLFJNZFDEFK-UHFFFAOYSA-N
XLogP70.59
TPSA166.11 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms248
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003531.24
LogP ≤ 570.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 1-chloro-4-fluoro-2-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-3-propan-2-ylphenol;1,4-dichloro-2-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,6-dimethyl-7-propan-2-ylindazole;2,4-dimethyl-3-propan-2-ylphenol;1-fluoro-4-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;4-methoxy-1-methyl-2-propan-2-ylbenzene;5-methyl-4-propan-2-yl-1H-indazole;1-methyl-8-propan-2-ylnaphthalene;4-methyl-3-propan-2-ylphenol;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene with MolForge

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Related Compounds

bis(1-chloro-4-fluoro-2-propan-2-ylbenzene);4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-3-propan-2-ylphenol;1,4-dichloro-2-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,6-dimethyl-7-propan-2-ylindazole;2,4-dimethyl-3-propan-2-ylphenol;1-fluoro-4-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;4-methoxy-1-methyl-2-propan-2-ylbenzene;5-methyl-4-propan-2-yl-1H-indazole;1-methyl-8-propan-2-ylnaphthalene;4-methyl-3-propan-2-ylphenol;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene
CID 160988445
bis(1-chloro-4-fluoro-2-propan-2-ylbenzene);4-chloro-1-fluoro-2-propan-2-ylbenzene;1-chloro-3-methoxy-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-3-propan-2-ylphenol;1,4-dichloro-2-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,6-dimethyl-7-propan-2-ylindazole;2,4-dimethyl-3-propan-2-ylphenol;1-fluoro-4-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;4-methoxy-1-methyl-2-propan-2-ylbenzene;5-methyl-4-propan-2-yl-1H-indazole;1-methyl-8-propan-2-ylnaphthalene;4-methyl-3-propan-2-ylphenol;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene
CID 161514254
6-amino-2,3-dimethylphenol;6-chloro-2,3-dimethylaniline;4-chloro-3-fluoro-2-methylaniline;4,6-dichloro-2,3-dimethylaniline;4,6-dichloro-3-fluoro-2-methylphenol;bis(2,3-dimethylaniline);3,4-dimethylaniline;4,5-dimethyl-1H-indazole;1-(4,5-dimethylindazol-1-yl)ethanone;1,2-dimethylnaphthalene;tris(2,3-dimethylphenol);3,4-dimethylphenol;(2,3-dimethylphenyl) N,N-dimethylcarbamate;1-methoxy-2,3-dimethylbenzene;2-methylaniline;N,N,2,3-tetramethylaniline;N,2,3-trimethylaniline;2,3,4-trimethylaniline;2,3,6-trimethylaniline
CID 157792276
6-amino-2,3-dimethylphenol;4-chloro-2,3-dimethylaniline;6-chloro-2,3-dimethylaniline;4,6-dichloro-2,3-dimethylaniline;4,6-dichloro-3-fluoro-2-methylphenol;bis(2,3-dimethylaniline);3,4-dimethylaniline;4,5-dimethyl-1H-indazole;1,2-dimethylnaphthalene;tris(2,3-dimethylphenol);3,4-dimethylphenol;(2,3-dimethylphenyl) N,N-dimethylcarbamate;methane;1-methoxy-2,3-dimethylbenzene;2-methylaniline;1-(5-methylindazol-1-yl)ethanone;N,N,2,3-tetramethylaniline;N,2,3-trimethylaniline;2,3,4-trimethylaniline;2,3,6-trimethylaniline
CID 159735771
1-tert-butyl-2H-benzo[cd]indole;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-1,2-dihydroacenaphthylene;4-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dimethylbenzene;9-tert-butyl-9H-fluorene;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylnaphthalen-2-ol;8-tert-butylnaphthalen-1-ol;prop-1-ene
CID 167552518
1-tert-butyl-2H-benzo[cd]indole;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-1,2-dihydroacenaphthylene;4-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dimethylbenzene;9-tert-butyl-9H-fluorene;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylnaphthalen-2-ol;8-tert-butylnaphthalen-1-ol;methane;prop-1-ene
CID 167632685
1-benzyl-4-tert-butyl-3-methylpyrazole;1-benzyl-4-tert-butylpyrazole;tert-butylbenzene;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;3-tert-butyl-1-chloro-2,4-difluorobenzene;1-tert-butyl-3-chloro-2-fluorobenzene;2-tert-butyl-4-chloro-1-fluorobenzene;2-tert-butyl-1,3-difluorobenzene;1-tert-butyl-2-fluoro-3-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;4-tert-butyl-3-methyl-1-phenylpyrazole;2-tert-butylnaphthalene;7-tert-butyl-5-phenyl-1H-indole;4-tert-butyl-1-phenylpyrazole
CID 167676823

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-fluoro-2-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-3-propan-2-ylphenol;1,4-dichloro-2-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,6-dimethyl-7-propan-2-ylindazole;2,4-dimethyl-3-propan-2-ylphenol;1-fluoro-4-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;4-methoxy-1-methyl-2-propan-2-ylbenzene;5-methyl-4-propan-2-yl-1H-indazole;1-methyl-8-propan-2-ylnaphthalene;4-methyl-3-propan-2-ylphenol;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene?
The IUPAC name of 1-chloro-4-fluoro-2-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-3-propan-2-ylphenol;1,4-dichloro-2-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,6-dimethyl-7-propan-2-ylindazole;2,4-dimethyl-3-propan-2-ylphenol;1-fluoro-4-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;4-methoxy-1-methyl-2-propan-2-ylbenzene;5-methyl-4-propan-2-yl-1H-indazole;1-methyl-8-propan-2-ylnaphthalene;4-methyl-3-propan-2-ylphenol;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene (CID 157120504) is 1-chloro-4-fluoro-2-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-3-propan-2-ylphenol;1,4-dichloro-2-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,6-dimethyl-7-propan-2-ylindazole;2,4-dimethyl-3-propan-2-ylphenol;1-fluoro-4-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;4-methoxy-1-methyl-2-propan-2-ylbenzene;5-methyl-4-propan-2-yl-1H-indazole;1-methyl-8-propan-2-ylnaphthalene;4-methyl-3-propan-2-ylphenol;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene.
What is the SMILES notation for 1-chloro-4-fluoro-2-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-3-propan-2-ylphenol;1,4-dichloro-2-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,6-dimethyl-7-propan-2-ylindazole;2,4-dimethyl-3-propan-2-ylphenol;1-fluoro-4-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;4-methoxy-1-methyl-2-propan-2-ylbenzene;5-methyl-4-propan-2-yl-1H-indazole;1-methyl-8-propan-2-ylnaphthalene;4-methyl-3-propan-2-ylphenol;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene?
The canonical SMILES for 1-chloro-4-fluoro-2-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-3-propan-2-ylphenol;1,4-dichloro-2-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,6-dimethyl-7-propan-2-ylindazole;2,4-dimethyl-3-propan-2-ylphenol;1-fluoro-4-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;4-methoxy-1-methyl-2-propan-2-ylbenzene;5-methyl-4-propan-2-yl-1H-indazole;1-methyl-8-propan-2-ylnaphthalene;4-methyl-3-propan-2-ylphenol;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene is CC(C)c1c(F)cccc1F.CC(C)c1c(O)cccc1F.CC(C)c1cc(Cl)ccc1Cl.CC(C)c1cc(Cl)ccc1F.CC(C)c1cc(F)ccc1Cl.CC(C)c1cc(F)ccc1F.CC(C)c1cc(O)ccc1Cl.CC(C)c1cc(O)ccc1F.CC(C)c1cccc(C(F)F)c1.CC(C)c1cccc2ccccc12.COc1ccc(C)c(C(C)C)c1.COc1ccc(F)c(C(C)C)c1.Cc1ccc(C(F)(F)F)cc1C(C)C.Cc1ccc(Cl)cc1C(C)C.Cc1ccc(F)cc1C(C)C.Cc1ccc(O)c(C)c1C(C)C.Cc1ccc(O)cc1C(C)C.Cc1ccc2[nH]ncc2c1C(C)C.Cc1ccc2cnn(C)c2c1C(C)C.Cc1cccc(C)c1C(C)C.Cc1cccc2cccc(C(C)C)c12.
What is the InChIKey of 1-chloro-4-fluoro-2-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-3-propan-2-ylphenol;1,4-dichloro-2-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,6-dimethyl-7-propan-2-ylindazole;2,4-dimethyl-3-propan-2-ylphenol;1-fluoro-4-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;4-methoxy-1-methyl-2-propan-2-ylbenzene;5-methyl-4-propan-2-yl-1H-indazole;1-methyl-8-propan-2-ylnaphthalene;4-methyl-3-propan-2-ylphenol;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene?
The InChIKey is AHXKLFJNZFDEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.C13H14.C12H16N2.C11H13F3.C11H14N2.2C11H16O.C11H16.C10H13Cl.C10H12F2.C10H13FO.C10H13F.C10H14O.C9H10Cl2.2C9H10ClF.C9H11ClO.2C9H10F2.2C9H11FO/c1-10(2)13-9-5-8-12-7-4-6-11(3)14(12)13;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-8(2)11-9(3)5-6-10-7-13-14(4)12(10)11;1-7(2)10-6-9(11(12,13)14)5-4-8(10)3;1-7(2)11-8(3)4-5-10-9(11)6-12-13-10;1-8(2)11-7-10(12-4)6-5-9(11)3;1-7(2)11-8(3)5-6-10(12)9(11)4;1-8(2)11-9(3)6-5-7-10(11)4;1-7(2)10-6-9(11)5-4-8(10)3;1-7(2)8-4-3-5-9(6-8)10(11)12;1-7(2)9-6-8(12-3)4-5-10(9)11;2*1-7(2)10-6-9(11)5-4-8(10)3;1-6(2)8-5-7(10)3-4-9(8)11;1-6(2)8-5-7(11)3-4-9(8)10;1-6(2)8-5-7(10)3-4-9(8)11;1-6(2)8-5-7(11)3-4-9(8)10;1-6(2)8-5-7(10)3-4-9(8)11;1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)8-5-7(11)3-4-9(8)10;1-6(2)9-7(10)4-3-5-8(9)11/h4-10H,1-3H3;3-10H,1-2H3;5-8H,1-4H3;4-7H,1-3H3;4-7H,1-3H3,(H,12,13);5-8H,1-4H3;5-7,12H,1-4H3;5-8H,1-4H3;4-7H,1-3H3;3-7,10H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;4-7,11H,1-3H3;3*3-6H,1-2H3;3-6,11H,1-2H3;2*3-6H,1-2H3;2*3-6,11H,1-2H3.
What are the key properties of 1-chloro-4-fluoro-2-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-3-propan-2-ylphenol;1,4-dichloro-2-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,6-dimethyl-7-propan-2-ylindazole;2,4-dimethyl-3-propan-2-ylphenol;1-fluoro-4-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;4-methoxy-1-methyl-2-propan-2-ylbenzene;5-methyl-4-propan-2-yl-1H-indazole;1-methyl-8-propan-2-ylnaphthalene;4-methyl-3-propan-2-ylphenol;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene?
1-chloro-4-fluoro-2-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-3-propan-2-ylphenol;1,4-dichloro-2-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,6-dimethyl-7-propan-2-ylindazole;2,4-dimethyl-3-propan-2-ylphenol;1-fluoro-4-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;4-methoxy-1-methyl-2-propan-2-ylbenzene;5-methyl-4-propan-2-yl-1H-indazole;1-methyl-8-propan-2-ylnaphthalene;4-methyl-3-propan-2-ylphenol;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene has a molecular weight of 3531.24 g/mol, XLogP of 70.59, 24 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-fluoro-2-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-3-propan-2-ylphenol;1,4-dichloro-2-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,6-dimethyl-7-propan-2-ylindazole;2,4-dimethyl-3-propan-2-ylphenol;1-fluoro-4-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;4-methoxy-1-methyl-2-propan-2-ylbenzene;5-methyl-4-propan-2-yl-1H-indazole;1-methyl-8-propan-2-ylnaphthalene;4-methyl-3-propan-2-ylphenol;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene is sourced from PubChem (CID 157120504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).