1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene;5-methyl-2-propan-2-ylphenol;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine

C286H393BrClFN21O9+ — CID 160523461

IUPAC1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene;5-methyl-2-propan-2-ylphenol;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine
SMILESCC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(=O)n(C2CC2)c1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc[n+](C)c1.CC(C)c1cccc(Br)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnccn1.CC(C)c1ncccn1.CCOc1ccc(C(C)C)cn1.CCc1ccc(C(C)C)cn1.COc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c(O)c1.Cc1ccc(C(C)C)c2ccccc12.Cc1ccc(C(C)C)c[n+]1[O-].Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1ccncc1C(C)C.Cc1cncc(C(C)C)c1.Cc1ncc(C(C)C)cc1O
InChIInChI=1S/C14H16.C13H14.C11H15NO.C11H13N.C11H17N.C11H16.C10H15NO.2C10H15N.2C10H14O.2C10H14.C9H11Br.C9H11Cl.C9H11F.4C9H13NO.2C9H13N.C9H14N.C9H12.C8H11NO.3C8H11N.2C7H10N2/c1-10(2)12-9-8-11(3)13-6-4-5-7-14(12)13;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-8(2)9-3-6-11(13)12(7-9)10-4-5-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-5-6-11(9(3)4)12-7-10;1-8(2)11-6-5-9(3)7-10(11)4;1-4-12-10-6-5-9(7-11-10)8(2)3;1-7(2)10-6-5-8(3)11-9(10)4;1-4-10-6-5-9(7-11-10)8(2)3;1-8(2)9-4-6-10(11-3)7-5-9;1-7(2)9-5-4-8(3)6-10(9)11;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;3*1-7(2)8-4-3-5-9(10)6-8;1-6(2)8-4-9(11)7(3)10-5-8;2*1-7(2)8-4-5-9(11)10(3)6-8;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-6-10-5-4-8(9)3;1-8(2)9-5-4-6-10(3)7-9;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-4-8(10)9-5-7;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7/h4-10H,1-3H3;3-10H,1-2H3;3,6-8,10H,4-5H2,1-2H3;3-8,12H,1-2H3;5-9H,1-4H3;5-8H,1-4H3;5-8H,4H2,1-3H3;5-7H,1-4H3;5-8H,4H2,1-3H3;4-8H,1-3H3;4-7,11H,1-3H3;2*4-8H,1-3H3;3*3-7H,1-2H3;4-6,11H,1-3H3;3*4-7H,1-3H3;2*4-7H,1-3H3;4-8H,1-3H3;3-8H,1-2H3;3-6H,1-2H3,(H,9,10);3*3-7H,1-2H3;2*3-6H,1-2H3/q;;;;;;;;;;;;;;;;;;;;;;+1;;;;;;;
InChIKeyQUOXGTBYAZIVJX-UHFFFAOYSA-N
MW4403.78 g/mol
LogP78.42
Rot. Bonds36

About 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene;5-methyl-2-propan-2-ylphenol;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine

1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene;5-methyl-2-propan-2-ylphenol;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine (PubChem CID 160523461) has the molecular formula C286H393BrClFN21O9+ and a molecular weight of 4403.78 g/mol. Its IUPAC name is 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene;5-methyl-2-propan-2-ylphenol;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene;5-methyl-2-propan-2-ylphenol;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine
PubChem CID160523461
Molecular FormulaC286H393BrClFN21O9+
Molecular Weight4403.78 g/mol
Exact Mass4398.98
IUPAC Name1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene;5-methyl-2-propan-2-ylphenol;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine
SMILESCC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(=O)n(C2CC2)c1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc[n+](C)c1.CC(C)c1cccc(Br)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnccn1.CC(C)c1ncccn1.CCOc1ccc(C(C)C)cn1.CCc1ccc(C(C)C)cn1.COc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c(O)c1.Cc1ccc(C(C)C)c2ccccc12.Cc1ccc(C(C)C)c[n+]1[O-].Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1ccncc1C(C)C.Cc1cncc(C(C)C)c1.Cc1ncc(C(C)C)cc1O
InChIInChI=1S/C14H16.C13H14.C11H15NO.C11H13N.C11H17N.C11H16.C10H15NO.2C10H15N.2C10H14O.2C10H14.C9H11Br.C9H11Cl.C9H11F.4C9H13NO.2C9H13N.C9H14N.C9H12.C8H11NO.3C8H11N.2C7H10N2/c1-10(2)12-9-8-11(3)13-6-4-5-7-14(12)13;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-8(2)9-3-6-11(13)12(7-9)10-4-5-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-5-6-11(9(3)4)12-7-10;1-8(2)11-6-5-9(3)7-10(11)4;1-4-12-10-6-5-9(7-11-10)8(2)3;1-7(2)10-6-5-8(3)11-9(10)4;1-4-10-6-5-9(7-11-10)8(2)3;1-8(2)9-4-6-10(11-3)7-5-9;1-7(2)9-5-4-8(3)6-10(9)11;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;3*1-7(2)8-4-3-5-9(10)6-8;1-6(2)8-4-9(11)7(3)10-5-8;2*1-7(2)8-4-5-9(11)10(3)6-8;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-6-10-5-4-8(9)3;1-8(2)9-5-4-6-10(3)7-9;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-4-8(10)9-5-7;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7/h4-10H,1-3H3;3-10H,1-2H3;3,6-8,10H,4-5H2,1-2H3;3-8,12H,1-2H3;5-9H,1-4H3;5-8H,1-4H3;5-8H,4H2,1-3H3;5-7H,1-4H3;5-8H,4H2,1-3H3;4-8H,1-3H3;4-7,11H,1-3H3;2*4-8H,1-3H3;3*3-7H,1-2H3;4-6,11H,1-3H3;3*4-7H,1-3H3;2*4-7H,1-3H3;4-8H,1-3H3;3-8H,1-2H3;3-6H,1-2H3,(H,9,10);3*3-7H,1-2H3;2*3-6H,1-2H3/q;;;;;;;;;;;;;;;;;;;;;;+1;;;;;;;
InChIKeyQUOXGTBYAZIVJX-UHFFFAOYSA-N
XLogP78.42
TPSA384.85 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds36
Heavy Atoms319
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004403.78
LogP ≤ 578.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene;5-methyl-2-propan-2-ylphenol;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene;5-methyl-2-propan-2-ylphenol;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine?
The IUPAC name of 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene;5-methyl-2-propan-2-ylphenol;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine (CID 160523461) is 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene;5-methyl-2-propan-2-ylphenol;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine.
What is the SMILES notation for 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene;5-methyl-2-propan-2-ylphenol;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine?
The canonical SMILES for 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene;5-methyl-2-propan-2-ylphenol;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine is CC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(=O)n(C)c1.CC(C)c1ccc(=O)n(C2CC2)c1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc[n+](C)c1.CC(C)c1cccc(Br)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnccn1.CC(C)c1ncccn1.CCOc1ccc(C(C)C)cn1.CCc1ccc(C(C)C)cn1.COc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c(O)c1.Cc1ccc(C(C)C)c2ccccc12.Cc1ccc(C(C)C)c[n+]1[O-].Cc1ccc(C(C)C)cc1.Cc1cccc(C(C)C)c1.Cc1ccncc1C(C)C.Cc1cncc(C(C)C)c1.Cc1ncc(C(C)C)cc1O.
What is the InChIKey of 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene;5-methyl-2-propan-2-ylphenol;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine?
The InChIKey is QUOXGTBYAZIVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.C13H14.C11H15NO.C11H13N.C11H17N.C11H16.C10H15NO.2C10H15N.2C10H14O.2C10H14.C9H11Br.C9H11Cl.C9H11F.4C9H13NO.2C9H13N.C9H14N.C9H12.C8H11NO.3C8H11N.2C7H10N2/c1-10(2)12-9-8-11(3)13-6-4-5-7-14(12)13;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-8(2)9-3-6-11(13)12(7-9)10-4-5-10;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)10-5-6-11(9(3)4)12-7-10;1-8(2)11-6-5-9(3)7-10(11)4;1-4-12-10-6-5-9(7-11-10)8(2)3;1-7(2)10-6-5-8(3)11-9(10)4;1-4-10-6-5-9(7-11-10)8(2)3;1-8(2)9-4-6-10(11-3)7-5-9;1-7(2)9-5-4-8(3)6-10(9)11;1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;3*1-7(2)8-4-3-5-9(10)6-8;1-6(2)8-4-9(11)7(3)10-5-8;2*1-7(2)8-4-5-9(11)10(3)6-8;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-6-10-5-4-8(9)3;1-8(2)9-5-4-6-10(3)7-9;1-8(2)9-6-4-3-5-7-9;1-6(2)7-3-4-8(10)9-5-7;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7/h4-10H,1-3H3;3-10H,1-2H3;3,6-8,10H,4-5H2,1-2H3;3-8,12H,1-2H3;5-9H,1-4H3;5-8H,1-4H3;5-8H,4H2,1-3H3;5-7H,1-4H3;5-8H,4H2,1-3H3;4-8H,1-3H3;4-7,11H,1-3H3;2*4-8H,1-3H3;3*3-7H,1-2H3;4-6,11H,1-3H3;3*4-7H,1-3H3;2*4-7H,1-3H3;4-8H,1-3H3;3-8H,1-2H3;3-6H,1-2H3,(H,9,10);3*3-7H,1-2H3;2*3-6H,1-2H3/q;;;;;;;;;;;;;;;;;;;;;;+1;;;;;;;.
What are the key properties of 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene;5-methyl-2-propan-2-ylphenol;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine?
1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene;5-methyl-2-propan-2-ylphenol;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine has a molecular weight of 4403.78 g/mol, XLogP of 78.42, 36 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;cumene;1-cyclopropyl-5-propan-2-ylpyridin-2-one;2,4-dimethyl-1-propan-2-ylbenzene;2,6-dimethyl-3-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-ethoxy-5-propan-2-ylpyridine;2-ethyl-5-propan-2-ylpyridine;1-fluoro-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-1-oxido-5-propan-2-ylpyridin-1-ium;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylnaphthalene;5-methyl-2-propan-2-ylphenol;3-methyl-5-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyridin-3-ol;bis(1-methyl-5-propan-2-ylpyridin-2-one);5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;2-propan-2-ylpyrazine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-yl-1H-pyridin-2-one;2-propan-2-ylpyrimidine is sourced from PubChem (CID 160523461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).