1-bromo-2-chloro-4-propan-2-ylbenzene;2-chloro-1,3-difluoro-4-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;tris(4-chloro-1-methyl-2-propan-2-ylbenzene);1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;2,3-dichloro-5-propan-2-ylpyridine;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene

C285H392BrCl13F5N37O3S5 — CID 159274766

IUPAC1-bromo-2-chloro-4-propan-2-ylbenzene;2-chloro-1,3-difluoro-4-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;tris(4-chloro-1-methyl-2-propan-2-ylbenzene);1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;2,3-dichloro-5-propan-2-ylpyridine;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESCC(C)c1ccc(Br)c(Cl)c1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)c(Cl)c1.CC(C)c1ccc(F)c(Cl)c1F.CC(C)c1cccc(Cl)c1Cl.CC(C)c1ccccc1.CC(C)c1ccccc1Cl.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1cccs1.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1ccon1.CC(C)c1ccsc1.CC(C)c1cnc(Cl)c(Cl)c1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cncs1.CC(C)c1cnn(C)c1.CC(C)c1cnoc1.CC(C)c1cscn1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncn(C)n1.CC(C)c1nnn(C)n1.Cc1c(Cl)cccc1C(C)C.Cc1cc(C(C)C)cc(F)c1F.Cc1ccc(Cl)cc1C(C)C.Cc1ccc(Cl)cc1C(C)C.Cc1ccc(Cl)cc1C(C)C.Cc1cccc(C(C)C)c1
InChIInChI=1S/4C10H13Cl.C10H12F2.C10H14.C9H10BrCl.C9H10Cl2.C9H9ClF2.C9H10ClF.2C9H11Cl.C9H12.C8H9Cl2N.3C8H11N.C7H12N2.C7H10N2.C7H12N2.6C7H10N2.2C7H10S.C6H11N3.C6H10N2.3C6H9NO.3C6H9NS.C5H10N4/c3*1-7(2)10-6-9(11)5-4-8(10)3;1-7(2)9-5-4-6-10(11)8(9)3;1-6(2)8-4-7(3)10(12)9(11)5-8;1-8(2)10-6-4-5-9(3)7-10;1-6(2)7-3-4-8(10)9(11)5-7;1-6(2)7-4-3-5-8(10)9(7)11;1-5(2)6-3-4-7(11)8(10)9(6)12;1-6(2)7-3-4-9(11)8(10)5-7;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9;1-5(2)6-3-7(9)8(10)11-4-6;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-3-8-5-9-4-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-5-8-3-4-9-7;2*1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-7-4-9(3)8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-6-8-9(3)7-5/h4*4-7H,1-3H3;4-6H,1-3H3;4-8H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;3-5H,1-2H3;3*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;6*3-6H,1-2H3;2*3-6H,1-2H3;4-5H,1-3H3;3-5H,1-2H3,(H,7,8);6*3-5H,1-2H3;4H,1-3H3
InChIKeyKYDXHFBWRBKPJX-UHFFFAOYSA-N
MW5180.65 g/mol
LogP92.18
Rot. Bonds37

About 1-bromo-2-chloro-4-propan-2-ylbenzene;2-chloro-1,3-difluoro-4-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;tris(4-chloro-1-methyl-2-propan-2-ylbenzene);1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;2,3-dichloro-5-propan-2-ylpyridine;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene

1-bromo-2-chloro-4-propan-2-ylbenzene;2-chloro-1,3-difluoro-4-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;tris(4-chloro-1-methyl-2-propan-2-ylbenzene);1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;2,3-dichloro-5-propan-2-ylpyridine;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene (PubChem CID 159274766) has the molecular formula C285H392BrCl13F5N37O3S5 and a molecular weight of 5180.65 g/mol. Its IUPAC name is 1-bromo-2-chloro-4-propan-2-ylbenzene;2-chloro-1,3-difluoro-4-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;tris(4-chloro-1-methyl-2-propan-2-ylbenzene);1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;2,3-dichloro-5-propan-2-ylpyridine;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene.

Molecular Properties

Compound Name1-bromo-2-chloro-4-propan-2-ylbenzene;2-chloro-1,3-difluoro-4-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;tris(4-chloro-1-methyl-2-propan-2-ylbenzene);1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;2,3-dichloro-5-propan-2-ylpyridine;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
PubChem CID159274766
Molecular FormulaC285H392BrCl13F5N37O3S5
Molecular Weight5180.65 g/mol
Exact Mass5169.53
IUPAC Name1-bromo-2-chloro-4-propan-2-ylbenzene;2-chloro-1,3-difluoro-4-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;tris(4-chloro-1-methyl-2-propan-2-ylbenzene);1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;2,3-dichloro-5-propan-2-ylpyridine;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESCC(C)c1ccc(Br)c(Cl)c1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)c(Cl)c1.CC(C)c1ccc(F)c(Cl)c1F.CC(C)c1cccc(Cl)c1Cl.CC(C)c1ccccc1.CC(C)c1ccccc1Cl.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1cccs1.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1ccon1.CC(C)c1ccsc1.CC(C)c1cnc(Cl)c(Cl)c1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cncs1.CC(C)c1cnn(C)c1.CC(C)c1cnoc1.CC(C)c1cscn1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncn(C)n1.CC(C)c1nnn(C)n1.Cc1c(Cl)cccc1C(C)C.Cc1cc(C(C)C)cc(F)c1F.Cc1ccc(Cl)cc1C(C)C.Cc1ccc(Cl)cc1C(C)C.Cc1ccc(Cl)cc1C(C)C.Cc1cccc(C(C)C)c1
InChIInChI=1S/4C10H13Cl.C10H12F2.C10H14.C9H10BrCl.C9H10Cl2.C9H9ClF2.C9H10ClF.2C9H11Cl.C9H12.C8H9Cl2N.3C8H11N.C7H12N2.C7H10N2.C7H12N2.6C7H10N2.2C7H10S.C6H11N3.C6H10N2.3C6H9NO.3C6H9NS.C5H10N4/c3*1-7(2)10-6-9(11)5-4-8(10)3;1-7(2)9-5-4-6-10(11)8(9)3;1-6(2)8-4-7(3)10(12)9(11)5-8;1-8(2)10-6-4-5-9(3)7-10;1-6(2)7-3-4-8(10)9(11)5-7;1-6(2)7-4-3-5-8(10)9(7)11;1-5(2)6-3-4-7(11)8(10)9(6)12;1-6(2)7-3-4-9(11)8(10)5-7;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9;1-5(2)6-3-7(9)8(10)11-4-6;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-3-8-5-9-4-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-5-8-3-4-9-7;2*1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-7-4-9(3)8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-6-8-9(3)7-5/h4*4-7H,1-3H3;4-6H,1-3H3;4-8H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;3-5H,1-2H3;3*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;6*3-6H,1-2H3;2*3-6H,1-2H3;4-5H,1-3H3;3-5H,1-2H3,(H,7,8);6*3-5H,1-2H3;4H,1-3H3
InChIKeyKYDXHFBWRBKPJX-UHFFFAOYSA-N
XLogP92.18
TPSA487.41 Ų
H-Bond Donors1
H-Bond Acceptors44
Rotatable Bonds37
Heavy Atoms349
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005180.65
LogP ≤ 592.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1044

Analyze 1-bromo-2-chloro-4-propan-2-ylbenzene;2-chloro-1,3-difluoro-4-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;tris(4-chloro-1-methyl-2-propan-2-ylbenzene);1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;2,3-dichloro-5-propan-2-ylpyridine;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene with MolForge

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What is the IUPAC name of 1-bromo-2-chloro-4-propan-2-ylbenzene;2-chloro-1,3-difluoro-4-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;tris(4-chloro-1-methyl-2-propan-2-ylbenzene);1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;2,3-dichloro-5-propan-2-ylpyridine;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The IUPAC name of 1-bromo-2-chloro-4-propan-2-ylbenzene;2-chloro-1,3-difluoro-4-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;tris(4-chloro-1-methyl-2-propan-2-ylbenzene);1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;2,3-dichloro-5-propan-2-ylpyridine;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene (CID 159274766) is 1-bromo-2-chloro-4-propan-2-ylbenzene;2-chloro-1,3-difluoro-4-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;tris(4-chloro-1-methyl-2-propan-2-ylbenzene);1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;2,3-dichloro-5-propan-2-ylpyridine;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene.
What is the SMILES notation for 1-bromo-2-chloro-4-propan-2-ylbenzene;2-chloro-1,3-difluoro-4-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;tris(4-chloro-1-methyl-2-propan-2-ylbenzene);1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;2,3-dichloro-5-propan-2-ylpyridine;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The canonical SMILES for 1-bromo-2-chloro-4-propan-2-ylbenzene;2-chloro-1,3-difluoro-4-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;tris(4-chloro-1-methyl-2-propan-2-ylbenzene);1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;2,3-dichloro-5-propan-2-ylpyridine;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene is CC(C)c1ccc(Br)c(Cl)c1.CC(C)c1ccc(Cl)cc1.CC(C)c1ccc(F)c(Cl)c1.CC(C)c1ccc(F)c(Cl)c1F.CC(C)c1cccc(Cl)c1Cl.CC(C)c1ccccc1.CC(C)c1ccccc1Cl.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1cccs1.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1ccon1.CC(C)c1ccsc1.CC(C)c1cnc(Cl)c(Cl)c1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cncs1.CC(C)c1cnn(C)c1.CC(C)c1cnoc1.CC(C)c1cscn1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncn(C)n1.CC(C)c1nnn(C)n1.Cc1c(Cl)cccc1C(C)C.Cc1cc(C(C)C)cc(F)c1F.Cc1ccc(Cl)cc1C(C)C.Cc1ccc(Cl)cc1C(C)C.Cc1ccc(Cl)cc1C(C)C.Cc1cccc(C(C)C)c1.
What is the InChIKey of 1-bromo-2-chloro-4-propan-2-ylbenzene;2-chloro-1,3-difluoro-4-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;tris(4-chloro-1-methyl-2-propan-2-ylbenzene);1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;2,3-dichloro-5-propan-2-ylpyridine;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The InChIKey is KYDXHFBWRBKPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H13Cl.C10H12F2.C10H14.C9H10BrCl.C9H10Cl2.C9H9ClF2.C9H10ClF.2C9H11Cl.C9H12.C8H9Cl2N.3C8H11N.C7H12N2.C7H10N2.C7H12N2.6C7H10N2.2C7H10S.C6H11N3.C6H10N2.3C6H9NO.3C6H9NS.C5H10N4/c3*1-7(2)10-6-9(11)5-4-8(10)3;1-7(2)9-5-4-6-10(11)8(9)3;1-6(2)8-4-7(3)10(12)9(11)5-8;1-8(2)10-6-4-5-9(3)7-10;1-6(2)7-3-4-8(10)9(11)5-7;1-6(2)7-4-3-5-8(10)9(7)11;1-5(2)6-3-4-7(11)8(10)9(6)12;1-6(2)7-3-4-9(11)8(10)5-7;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9;1-5(2)6-3-7(9)8(10)11-4-6;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-3-8-5-9-4-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-5-8-3-4-9-7;2*1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-7-4-9(3)8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-6-8-9(3)7-5/h4*4-7H,1-3H3;4-6H,1-3H3;4-8H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;2*3-7H,1-2H3;3-8H,1-2H3;3-5H,1-2H3;3*3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;6*3-6H,1-2H3;2*3-6H,1-2H3;4-5H,1-3H3;3-5H,1-2H3,(H,7,8);6*3-5H,1-2H3;4H,1-3H3.
What are the key properties of 1-bromo-2-chloro-4-propan-2-ylbenzene;2-chloro-1,3-difluoro-4-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;tris(4-chloro-1-methyl-2-propan-2-ylbenzene);1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;2,3-dichloro-5-propan-2-ylpyridine;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
1-bromo-2-chloro-4-propan-2-ylbenzene;2-chloro-1,3-difluoro-4-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;tris(4-chloro-1-methyl-2-propan-2-ylbenzene);1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;2,3-dichloro-5-propan-2-ylpyridine;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene has a molecular weight of 5180.65 g/mol, XLogP of 92.18, 37 rotatable bonds, 1 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloro-4-propan-2-ylbenzene;2-chloro-1,3-difluoro-4-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-methyl-3-propan-2-ylbenzene;tris(4-chloro-1-methyl-2-propan-2-ylbenzene);1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;2,3-dichloro-5-propan-2-ylpyridine;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene is sourced from PubChem (CID 159274766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).