2-chloro-1-methoxy-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;5,5-dimethyl-1-propan-2-ylcyclopentene;3,5-dimethyl-2-propan-2-ylthiophene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-1-propan-2-ylcyclohexene;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;4-propan-2-yl-3,6-dihydro-2H-pyran;6-propan-2-yl-3,4-dihydro-2H-pyran;2-propan-2-yloxane;4-propan-2-yloxane;3-propan-2-yloxolane;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-3-(trifluoromethyl)benzene

C284H438Cl5F6N13O10S5 — CID 162247633

IUPAC2-chloro-1-methoxy-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;5,5-dimethyl-1-propan-2-ylcyclopentene;3,5-dimethyl-2-propan-2-ylthiophene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-1-propan-2-ylcyclohexene;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;4-propan-2-yl-3,6-dihydro-2H-pyran;6-propan-2-yl-3,4-dihydro-2H-pyran;2-propan-2-yloxane;4-propan-2-yloxane;3-propan-2-yloxolane;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-3-(trifluoromethyl)benzene
SMILESCC(C)C1=CCCC1.CC(C)C1=CCCC1(C)C.CC(C)C1=CCCCO1.CC(C)C1=CCCN(C)C1.CC(C)C1=CCNCC1.CC(C)C1=CCOCC1.CC(C)C1CCCC1.CC(C)C1CCCCO1.CC(C)C1CCN(C)CC1.CC(C)C1CCOC1.CC(C)C1CCOCC1.CC(C)c1cc(Cl)cs1.CC(C)c1ccc(Cl)s1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1Cl.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cn(C)nn1.CC(C)c1cncnc1.CC(C)c1cncs1.CC1CC=C(C(C)C)CC1.COc1ccc(C(C)C)cc1C.COc1ccc(C(C)C)cc1Cl.COc1ccc(C(C)C)cc1F.COc1cccc(C(C)C)c1.COc1ccccc1C(C)C.Cc1cc(C)c(C(C)C)s1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1F.Cc1ncc(C(C)C)s1.[C-]#[N+]c1ccc(C(C)C)cc1
InChIInChI=1S/C11H16O.C10H13ClO.C10H11F3.C10H13FO.C10H13F.C10H11N.2C10H14O.2C10H18.C10H14.2C9H11Cl.C9H11F.C9H19N.C9H17N.C9H14S.C8H15N.2C8H11N.C8H16O.C8H14O.C8H16O.C8H14O.C8H16.C8H14.2C7H9ClS.C7H10N2.C7H11NS.C7H14O.C6H11N3.C6H9NS/c1-8(2)10-5-6-11(12-4)9(3)7-10;1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)9-6-5-7-10(9,3)4;2*1-8(2)10-6-4-9(3)5-7-10;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)8-4-3-5-9(10)6-8;1-8(2)9-4-6-10(3)7-5-9;1-8(2)9-5-4-6-10(3)7-9;1-6(2)9-7(3)5-8(4)10-9;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-5-3-4-6-9-8;2*1-7(2)8-5-3-4-6-8;1-5(2)7-3-6(8)4-9-7;1-5(2)6-3-4-7(8)9-6;1-6(2)7-3-8-5-9-4-7;1-5(2)7-4-8-6(3)9-7;1-6(2)7-3-4-8-5-7;1-5(2)6-4-9(3)8-7-6;1-5(2)6-3-7-4-8-6/h5-8H,1-4H3;4-7H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;4-8H,1-2H3;2*4-8H,1-3H3;6,8H,5,7H2,1-4H3;6,8-9H,4-5,7H2,1-3H3;4-8H,1-3H3;3*3-7H,1-2H3;8-9H,4-7H2,1-3H3;5,8H,4,6-7H2,1-3H3;5-6H,1-4H3;3,7,9H,4-6H2,1-2H3;2*3-7H,1-2H3;7-8H,3-6H2,1-2H3;3,7H,4-6H2,1-2H3;7-8H,3-6H2,1-2H3;5,7H,3-4,6H2,1-2H3;7-8H,3-6H2,1-2H3;5,7H,3-4,6H2,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3;4-5H,1-3H3;6-7H,3-5H2,1-2H3;4-5H,1-3H3;3-5H,1-2H3
InChIKeyZXOAPFAJSXRXJN-UHFFFAOYSA-N
MW4646.30 g/mol
LogP89.06
Rot. Bonds38

About 2-chloro-1-methoxy-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;5,5-dimethyl-1-propan-2-ylcyclopentene;3,5-dimethyl-2-propan-2-ylthiophene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-1-propan-2-ylcyclohexene;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;4-propan-2-yl-3,6-dihydro-2H-pyran;6-propan-2-yl-3,4-dihydro-2H-pyran;2-propan-2-yloxane;4-propan-2-yloxane;3-propan-2-yloxolane;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-3-(trifluoromethyl)benzene

2-chloro-1-methoxy-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;5,5-dimethyl-1-propan-2-ylcyclopentene;3,5-dimethyl-2-propan-2-ylthiophene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-1-propan-2-ylcyclohexene;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;4-propan-2-yl-3,6-dihydro-2H-pyran;6-propan-2-yl-3,4-dihydro-2H-pyran;2-propan-2-yloxane;4-propan-2-yloxane;3-propan-2-yloxolane;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-3-(trifluoromethyl)benzene (PubChem CID 162247633) has the molecular formula C284H438Cl5F6N13O10S5 and a molecular weight of 4646.30 g/mol. Its IUPAC name is 2-chloro-1-methoxy-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;5,5-dimethyl-1-propan-2-ylcyclopentene;3,5-dimethyl-2-propan-2-ylthiophene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-1-propan-2-ylcyclohexene;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;4-propan-2-yl-3,6-dihydro-2H-pyran;6-propan-2-yl-3,4-dihydro-2H-pyran;2-propan-2-yloxane;4-propan-2-yloxane;3-propan-2-yloxolane;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-chloro-1-methoxy-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;5,5-dimethyl-1-propan-2-ylcyclopentene;3,5-dimethyl-2-propan-2-ylthiophene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-1-propan-2-ylcyclohexene;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;4-propan-2-yl-3,6-dihydro-2H-pyran;6-propan-2-yl-3,4-dihydro-2H-pyran;2-propan-2-yloxane;4-propan-2-yloxane;3-propan-2-yloxolane;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-3-(trifluoromethyl)benzene
PubChem CID162247633
Molecular FormulaC284H438Cl5F6N13O10S5
Molecular Weight4646.30 g/mol
Exact Mass4640.11
IUPAC Name2-chloro-1-methoxy-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;5,5-dimethyl-1-propan-2-ylcyclopentene;3,5-dimethyl-2-propan-2-ylthiophene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-1-propan-2-ylcyclohexene;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;4-propan-2-yl-3,6-dihydro-2H-pyran;6-propan-2-yl-3,4-dihydro-2H-pyran;2-propan-2-yloxane;4-propan-2-yloxane;3-propan-2-yloxolane;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-3-(trifluoromethyl)benzene
SMILESCC(C)C1=CCCC1.CC(C)C1=CCCC1(C)C.CC(C)C1=CCCCO1.CC(C)C1=CCCN(C)C1.CC(C)C1=CCNCC1.CC(C)C1=CCOCC1.CC(C)C1CCCC1.CC(C)C1CCCCO1.CC(C)C1CCN(C)CC1.CC(C)C1CCOC1.CC(C)C1CCOCC1.CC(C)c1cc(Cl)cs1.CC(C)c1ccc(Cl)s1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1Cl.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cn(C)nn1.CC(C)c1cncnc1.CC(C)c1cncs1.CC1CC=C(C(C)C)CC1.COc1ccc(C(C)C)cc1C.COc1ccc(C(C)C)cc1Cl.COc1ccc(C(C)C)cc1F.COc1cccc(C(C)C)c1.COc1ccccc1C(C)C.Cc1cc(C)c(C(C)C)s1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1F.Cc1ncc(C(C)C)s1.[C-]#[N+]c1ccc(C(C)C)cc1
InChIInChI=1S/C11H16O.C10H13ClO.C10H11F3.C10H13FO.C10H13F.C10H11N.2C10H14O.2C10H18.C10H14.2C9H11Cl.C9H11F.C9H19N.C9H17N.C9H14S.C8H15N.2C8H11N.C8H16O.C8H14O.C8H16O.C8H14O.C8H16.C8H14.2C7H9ClS.C7H10N2.C7H11NS.C7H14O.C6H11N3.C6H9NS/c1-8(2)10-5-6-11(12-4)9(3)7-10;1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)9-6-5-7-10(9,3)4;2*1-8(2)10-6-4-9(3)5-7-10;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)8-4-3-5-9(10)6-8;1-8(2)9-4-6-10(3)7-5-9;1-8(2)9-5-4-6-10(3)7-9;1-6(2)9-7(3)5-8(4)10-9;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-5-3-4-6-9-8;2*1-7(2)8-5-3-4-6-8;1-5(2)7-3-6(8)4-9-7;1-5(2)6-3-4-7(8)9-6;1-6(2)7-3-8-5-9-4-7;1-5(2)7-4-8-6(3)9-7;1-6(2)7-3-4-8-5-7;1-5(2)6-4-9(3)8-7-6;1-5(2)6-3-7-4-8-6/h5-8H,1-4H3;4-7H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;4-8H,1-2H3;2*4-8H,1-3H3;6,8H,5,7H2,1-4H3;6,8-9H,4-5,7H2,1-3H3;4-8H,1-3H3;3*3-7H,1-2H3;8-9H,4-7H2,1-3H3;5,8H,4,6-7H2,1-3H3;5-6H,1-4H3;3,7,9H,4-6H2,1-2H3;2*3-7H,1-2H3;7-8H,3-6H2,1-2H3;3,7H,4-6H2,1-2H3;7-8H,3-6H2,1-2H3;5,7H,3-4,6H2,1-2H3;7-8H,3-6H2,1-2H3;5,7H,3-4,6H2,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3;4-5H,1-3H3;6-7H,3-5H2,1-2H3;4-5H,1-3H3;3-5H,1-2H3
InChIKeyZXOAPFAJSXRXJN-UHFFFAOYSA-N
XLogP89.06
TPSA223.22 Ų
H-Bond Donors1
H-Bond Acceptors27
Rotatable Bonds38
Heavy Atoms323
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004646.30
LogP ≤ 589.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1027

Analyze 2-chloro-1-methoxy-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;5,5-dimethyl-1-propan-2-ylcyclopentene;3,5-dimethyl-2-propan-2-ylthiophene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-1-propan-2-ylcyclohexene;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;4-propan-2-yl-3,6-dihydro-2H-pyran;6-propan-2-yl-3,4-dihydro-2H-pyran;2-propan-2-yloxane;4-propan-2-yloxane;3-propan-2-yloxolane;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-3-(trifluoromethyl)benzene with MolForge

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What is the IUPAC name of 2-chloro-1-methoxy-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;5,5-dimethyl-1-propan-2-ylcyclopentene;3,5-dimethyl-2-propan-2-ylthiophene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-1-propan-2-ylcyclohexene;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;4-propan-2-yl-3,6-dihydro-2H-pyran;6-propan-2-yl-3,4-dihydro-2H-pyran;2-propan-2-yloxane;4-propan-2-yloxane;3-propan-2-yloxolane;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-3-(trifluoromethyl)benzene?
The IUPAC name of 2-chloro-1-methoxy-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;5,5-dimethyl-1-propan-2-ylcyclopentene;3,5-dimethyl-2-propan-2-ylthiophene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-1-propan-2-ylcyclohexene;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;4-propan-2-yl-3,6-dihydro-2H-pyran;6-propan-2-yl-3,4-dihydro-2H-pyran;2-propan-2-yloxane;4-propan-2-yloxane;3-propan-2-yloxolane;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-3-(trifluoromethyl)benzene (CID 162247633) is 2-chloro-1-methoxy-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;5,5-dimethyl-1-propan-2-ylcyclopentene;3,5-dimethyl-2-propan-2-ylthiophene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-1-propan-2-ylcyclohexene;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;4-propan-2-yl-3,6-dihydro-2H-pyran;6-propan-2-yl-3,4-dihydro-2H-pyran;2-propan-2-yloxane;4-propan-2-yloxane;3-propan-2-yloxolane;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 2-chloro-1-methoxy-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;5,5-dimethyl-1-propan-2-ylcyclopentene;3,5-dimethyl-2-propan-2-ylthiophene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-1-propan-2-ylcyclohexene;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;4-propan-2-yl-3,6-dihydro-2H-pyran;6-propan-2-yl-3,4-dihydro-2H-pyran;2-propan-2-yloxane;4-propan-2-yloxane;3-propan-2-yloxolane;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-3-(trifluoromethyl)benzene?
The canonical SMILES for 2-chloro-1-methoxy-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;5,5-dimethyl-1-propan-2-ylcyclopentene;3,5-dimethyl-2-propan-2-ylthiophene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-1-propan-2-ylcyclohexene;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;4-propan-2-yl-3,6-dihydro-2H-pyran;6-propan-2-yl-3,4-dihydro-2H-pyran;2-propan-2-yloxane;4-propan-2-yloxane;3-propan-2-yloxolane;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-3-(trifluoromethyl)benzene is CC(C)C1=CCCC1.CC(C)C1=CCCC1(C)C.CC(C)C1=CCCCO1.CC(C)C1=CCCN(C)C1.CC(C)C1=CCNCC1.CC(C)C1=CCOCC1.CC(C)C1CCCC1.CC(C)C1CCCCO1.CC(C)C1CCN(C)CC1.CC(C)C1CCOC1.CC(C)C1CCOCC1.CC(C)c1cc(Cl)cs1.CC(C)c1ccc(Cl)s1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1Cl.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cn(C)nn1.CC(C)c1cncnc1.CC(C)c1cncs1.CC1CC=C(C(C)C)CC1.COc1ccc(C(C)C)cc1C.COc1ccc(C(C)C)cc1Cl.COc1ccc(C(C)C)cc1F.COc1cccc(C(C)C)c1.COc1ccccc1C(C)C.Cc1cc(C)c(C(C)C)s1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1F.Cc1ncc(C(C)C)s1.[C-]#[N+]c1ccc(C(C)C)cc1.
What is the InChIKey of 2-chloro-1-methoxy-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;5,5-dimethyl-1-propan-2-ylcyclopentene;3,5-dimethyl-2-propan-2-ylthiophene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-1-propan-2-ylcyclohexene;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;4-propan-2-yl-3,6-dihydro-2H-pyran;6-propan-2-yl-3,4-dihydro-2H-pyran;2-propan-2-yloxane;4-propan-2-yloxane;3-propan-2-yloxolane;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-3-(trifluoromethyl)benzene?
The InChIKey is ZXOAPFAJSXRXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O.C10H13ClO.C10H11F3.C10H13FO.C10H13F.C10H11N.2C10H14O.2C10H18.C10H14.2C9H11Cl.C9H11F.C9H19N.C9H17N.C9H14S.C8H15N.2C8H11N.C8H16O.C8H14O.C8H16O.C8H14O.C8H16.C8H14.2C7H9ClS.C7H10N2.C7H11NS.C7H14O.C6H11N3.C6H9NS/c1-8(2)10-5-6-11(12-4)9(3)7-10;1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)8-4-5-10(12-3)9(11)6-8;1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)9-6-4-5-7-10(9)11-3;1-8(2)9-6-5-7-10(9,3)4;2*1-8(2)10-6-4-9(3)5-7-10;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)8-4-3-5-9(10)6-8;1-8(2)9-4-6-10(3)7-5-9;1-8(2)9-5-4-6-10(3)7-9;1-6(2)9-7(3)5-8(4)10-9;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-5-3-4-6-9-8;2*1-7(2)8-5-3-4-6-8;1-5(2)7-3-6(8)4-9-7;1-5(2)6-3-4-7(8)9-6;1-6(2)7-3-8-5-9-4-7;1-5(2)7-4-8-6(3)9-7;1-6(2)7-3-4-8-5-7;1-5(2)6-4-9(3)8-7-6;1-5(2)6-3-7-4-8-6/h5-8H,1-4H3;4-7H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;4-7H,1-3H3;4-8H,1-2H3;2*4-8H,1-3H3;6,8H,5,7H2,1-4H3;6,8-9H,4-5,7H2,1-3H3;4-8H,1-3H3;3*3-7H,1-2H3;8-9H,4-7H2,1-3H3;5,8H,4,6-7H2,1-3H3;5-6H,1-4H3;3,7,9H,4-6H2,1-2H3;2*3-7H,1-2H3;7-8H,3-6H2,1-2H3;3,7H,4-6H2,1-2H3;7-8H,3-6H2,1-2H3;5,7H,3-4,6H2,1-2H3;7-8H,3-6H2,1-2H3;5,7H,3-4,6H2,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3;4-5H,1-3H3;6-7H,3-5H2,1-2H3;4-5H,1-3H3;3-5H,1-2H3.
What are the key properties of 2-chloro-1-methoxy-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;5,5-dimethyl-1-propan-2-ylcyclopentene;3,5-dimethyl-2-propan-2-ylthiophene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-1-propan-2-ylcyclohexene;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;4-propan-2-yl-3,6-dihydro-2H-pyran;6-propan-2-yl-3,4-dihydro-2H-pyran;2-propan-2-yloxane;4-propan-2-yloxane;3-propan-2-yloxolane;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-3-(trifluoromethyl)benzene?
2-chloro-1-methoxy-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;5,5-dimethyl-1-propan-2-ylcyclopentene;3,5-dimethyl-2-propan-2-ylthiophene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-1-propan-2-ylcyclohexene;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;4-propan-2-yl-3,6-dihydro-2H-pyran;6-propan-2-yl-3,4-dihydro-2H-pyran;2-propan-2-yloxane;4-propan-2-yloxane;3-propan-2-yloxolane;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-3-(trifluoromethyl)benzene has a molecular weight of 4646.30 g/mol, XLogP of 89.06, 38 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methoxy-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylthiophene;4-chloro-2-propan-2-ylthiophene;5,5-dimethyl-1-propan-2-ylcyclopentene;3,5-dimethyl-2-propan-2-ylthiophene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-1-propan-2-ylcyclohexene;1-methyl-5-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;4-propan-2-yl-3,6-dihydro-2H-pyran;6-propan-2-yl-3,4-dihydro-2H-pyran;2-propan-2-yloxane;4-propan-2-yloxane;3-propan-2-yloxolane;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,3,6-tetrahydropyridine;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 162247633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).