1-chloro-3-(3,3-dimethylbutan-2-yl)benzene;1-chloro-2-[(1S)-2-methyl-1-phenylpropyl]benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1,2-dichloro-4-(2,2-dimethylpropyl)benzene;1,3-dichloro-5-[(1S)-1-phenylethyl]benzene;1,3-dichloro-5-[(1R)-1-phenylethyl]benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;2-(2,2-dimethylpropyl)benzonitrile;1-fluoro-4-[(1R)-2-methyl-1-phenylpropyl]benzene;1-fluoro-4-[(1S)-1-phenylethyl]benzene;3-methylbutan-2-ylbenzene;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;propane

C218H262Cl11F6N3O — CID 157116956

IUPAC1-chloro-3-(3,3-dimethylbutan-2-yl)benzene;1-chloro-2-[(1S)-2-methyl-1-phenylpropyl]benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1,2-dichloro-4-(2,2-dimethylpropyl)benzene;1,3-dichloro-5-[(1S)-1-phenylethyl]benzene;1,3-dichloro-5-[(1R)-1-phenylethyl]benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;2-(2,2-dimethylpropyl)benzonitrile;1-fluoro-4-[(1R)-2-methyl-1-phenylpropyl]benzene;1-fluoro-4-[(1S)-1-phenylethyl]benzene;3-methylbutan-2-ylbenzene;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;propane
SMILESCC(C)(C)C(c1ccccc1)c1cccc(F)c1.CC(C)(C)Cc1ccc(Cl)c(Cl)c1.CC(C)(C)Cc1ccccc1C#N.CC(C)C(C)c1ccccc1.CC(C)[C@@H](c1ccccc1)c1ccccc1Cl.CC(C)[C@@H](c1ccccc1)c1ccncc1.CC(C)[C@H](c1ccccc1)c1ccc(F)cc1.CC(C)[C@H](c1ccccc1)c1ccccc1Cl.CC(C)[C@H](c1ccccc1)c1ccncc1.CC(c1ccc(OC(F)(F)F)cc1)C(C)(C)C.CC(c1cccc(Cl)c1)C(C)(C)C.CCC.CCC.CCC.CCC(c1cc(Cl)cc(Cl)c1)C(C)(C)C.C[C@@H](c1ccccc1)c1cc(Cl)cc(Cl)c1.C[C@@H](c1ccccc1)c1ccc(F)cc1.C[C@H](c1ccccc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H19F.2C16H17Cl.C16H17F.2C15H17N.2C14H12Cl2.C14H13F.C13H18Cl2.C13H17F3O.C12H17Cl.C12H15N.C11H14Cl2.C11H16.3C3H8/c1-17(2,3)16(13-8-5-4-6-9-13)14-10-7-11-15(18)12-14;2*1-12(2)16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17;1-12(2)16(13-6-4-3-5-7-13)14-8-10-15(17)11-9-14;2*1-12(2)15(13-6-4-3-5-7-13)14-8-10-16-11-9-14;2*1-10(11-5-3-2-4-6-11)12-7-13(15)9-14(16)8-12;1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13;1-5-12(13(2,3)4)9-6-10(14)8-11(15)7-9;1-9(12(2,3)4)10-5-7-11(8-6-10)17-13(14,15)16;1-9(12(2,3)4)10-6-5-7-11(13)8-10;1-12(2,3)8-10-6-4-5-7-11(10)9-13;1-11(2,3)7-8-4-5-9(12)10(13)6-8;1-9(2)10(3)11-7-5-4-6-8-11;3*1-3-2/h4-12,16H,1-3H3;3*3-12,16H,1-2H3;2*3-12,15H,1-2H3;2*2-10H,1H3;2-11H,1H3;6-8,12H,5H2,1-4H3;5-9H,1-4H3;5-9H,1-4H3;4-7H,8H2,1-3H3;4-6H,7H2,1-3H3;4-10H,1-3H3;3*3H2,1-2H3/t;3*16-;2*15-;2*10-;11-;;;;;;;;;/m.10110100........./s1
InChIKeyAHNDIDCQLWBCRT-WXWLGCFSSA-N
MW3444.48 g/mol
LogP72.06
Rot. Bonds32

About 1-chloro-3-(3,3-dimethylbutan-2-yl)benzene;1-chloro-2-[(1S)-2-methyl-1-phenylpropyl]benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1,2-dichloro-4-(2,2-dimethylpropyl)benzene;1,3-dichloro-5-[(1S)-1-phenylethyl]benzene;1,3-dichloro-5-[(1R)-1-phenylethyl]benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;2-(2,2-dimethylpropyl)benzonitrile;1-fluoro-4-[(1R)-2-methyl-1-phenylpropyl]benzene;1-fluoro-4-[(1S)-1-phenylethyl]benzene;3-methylbutan-2-ylbenzene;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;propane

1-chloro-3-(3,3-dimethylbutan-2-yl)benzene;1-chloro-2-[(1S)-2-methyl-1-phenylpropyl]benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1,2-dichloro-4-(2,2-dimethylpropyl)benzene;1,3-dichloro-5-[(1S)-1-phenylethyl]benzene;1,3-dichloro-5-[(1R)-1-phenylethyl]benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;2-(2,2-dimethylpropyl)benzonitrile;1-fluoro-4-[(1R)-2-methyl-1-phenylpropyl]benzene;1-fluoro-4-[(1S)-1-phenylethyl]benzene;3-methylbutan-2-ylbenzene;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;propane (PubChem CID 157116956) has the molecular formula C218H262Cl11F6N3O and a molecular weight of 3444.48 g/mol. Its IUPAC name is 1-chloro-3-(3,3-dimethylbutan-2-yl)benzene;1-chloro-2-[(1S)-2-methyl-1-phenylpropyl]benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1,2-dichloro-4-(2,2-dimethylpropyl)benzene;1,3-dichloro-5-[(1S)-1-phenylethyl]benzene;1,3-dichloro-5-[(1R)-1-phenylethyl]benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;2-(2,2-dimethylpropyl)benzonitrile;1-fluoro-4-[(1R)-2-methyl-1-phenylpropyl]benzene;1-fluoro-4-[(1S)-1-phenylethyl]benzene;3-methylbutan-2-ylbenzene;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;propane.

Molecular Properties

Compound Name1-chloro-3-(3,3-dimethylbutan-2-yl)benzene;1-chloro-2-[(1S)-2-methyl-1-phenylpropyl]benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1,2-dichloro-4-(2,2-dimethylpropyl)benzene;1,3-dichloro-5-[(1S)-1-phenylethyl]benzene;1,3-dichloro-5-[(1R)-1-phenylethyl]benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;2-(2,2-dimethylpropyl)benzonitrile;1-fluoro-4-[(1R)-2-methyl-1-phenylpropyl]benzene;1-fluoro-4-[(1S)-1-phenylethyl]benzene;3-methylbutan-2-ylbenzene;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;propane
PubChem CID157116956
Molecular FormulaC218H262Cl11F6N3O
Molecular Weight3444.48 g/mol
Exact Mass3436.70
IUPAC Name1-chloro-3-(3,3-dimethylbutan-2-yl)benzene;1-chloro-2-[(1S)-2-methyl-1-phenylpropyl]benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1,2-dichloro-4-(2,2-dimethylpropyl)benzene;1,3-dichloro-5-[(1S)-1-phenylethyl]benzene;1,3-dichloro-5-[(1R)-1-phenylethyl]benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;2-(2,2-dimethylpropyl)benzonitrile;1-fluoro-4-[(1R)-2-methyl-1-phenylpropyl]benzene;1-fluoro-4-[(1S)-1-phenylethyl]benzene;3-methylbutan-2-ylbenzene;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;propane
SMILESCC(C)(C)C(c1ccccc1)c1cccc(F)c1.CC(C)(C)Cc1ccc(Cl)c(Cl)c1.CC(C)(C)Cc1ccccc1C#N.CC(C)C(C)c1ccccc1.CC(C)[C@@H](c1ccccc1)c1ccccc1Cl.CC(C)[C@@H](c1ccccc1)c1ccncc1.CC(C)[C@H](c1ccccc1)c1ccc(F)cc1.CC(C)[C@H](c1ccccc1)c1ccccc1Cl.CC(C)[C@H](c1ccccc1)c1ccncc1.CC(c1ccc(OC(F)(F)F)cc1)C(C)(C)C.CC(c1cccc(Cl)c1)C(C)(C)C.CCC.CCC.CCC.CCC(c1cc(Cl)cc(Cl)c1)C(C)(C)C.C[C@@H](c1ccccc1)c1cc(Cl)cc(Cl)c1.C[C@@H](c1ccccc1)c1ccc(F)cc1.C[C@H](c1ccccc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H19F.2C16H17Cl.C16H17F.2C15H17N.2C14H12Cl2.C14H13F.C13H18Cl2.C13H17F3O.C12H17Cl.C12H15N.C11H14Cl2.C11H16.3C3H8/c1-17(2,3)16(13-8-5-4-6-9-13)14-10-7-11-15(18)12-14;2*1-12(2)16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17;1-12(2)16(13-6-4-3-5-7-13)14-8-10-15(17)11-9-14;2*1-12(2)15(13-6-4-3-5-7-13)14-8-10-16-11-9-14;2*1-10(11-5-3-2-4-6-11)12-7-13(15)9-14(16)8-12;1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13;1-5-12(13(2,3)4)9-6-10(14)8-11(15)7-9;1-9(12(2,3)4)10-5-7-11(8-6-10)17-13(14,15)16;1-9(12(2,3)4)10-6-5-7-11(13)8-10;1-12(2,3)8-10-6-4-5-7-11(10)9-13;1-11(2,3)7-8-4-5-9(12)10(13)6-8;1-9(2)10(3)11-7-5-4-6-8-11;3*1-3-2/h4-12,16H,1-3H3;3*3-12,16H,1-2H3;2*3-12,15H,1-2H3;2*2-10H,1H3;2-11H,1H3;6-8,12H,5H2,1-4H3;5-9H,1-4H3;5-9H,1-4H3;4-7H,8H2,1-3H3;4-6H,7H2,1-3H3;4-10H,1-3H3;3*3H2,1-2H3/t;3*16-;2*15-;2*10-;11-;;;;;;;;;/m.10110100........./s1
InChIKeyAHNDIDCQLWBCRT-WXWLGCFSSA-N
XLogP72.06
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds32
Heavy Atoms239
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003444.48
LogP ≤ 572.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-chloro-3-(3,3-dimethylbutan-2-yl)benzene;1-chloro-2-[(1S)-2-methyl-1-phenylpropyl]benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1,2-dichloro-4-(2,2-dimethylpropyl)benzene;1,3-dichloro-5-[(1S)-1-phenylethyl]benzene;1,3-dichloro-5-[(1R)-1-phenylethyl]benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;2-(2,2-dimethylpropyl)benzonitrile;1-fluoro-4-[(1R)-2-methyl-1-phenylpropyl]benzene;1-fluoro-4-[(1S)-1-phenylethyl]benzene;3-methylbutan-2-ylbenzene;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;propane with MolForge

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Related Compounds

2-Chloro-1-methyl-4-propan-2-ylbenzene;3-chloro-2-methyl-5-propan-2-ylpyridine;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylbenzonitrile;2-methyl-5-propan-2-ylbenzonitrile;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157428279
5-Chloro-2-methoxy-3-propan-2-ylpyridine;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-dichloro-3-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-iodo-2-propan-2-ylbenzene;1-isocyano-2-propan-2-ylbenzene;4-methoxy-3-propan-2-ylbenzonitrile;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-3-(trifluoromethyl)benzene
CID 157474227
2-Chloro-3-fluoro-1-methyl-4-propan-2-ylbenzene;2-chloro-5-fluoro-4-propan-2-ylbenzonitrile;2-chloro-1-methyl-4-propan-2-ylbenzene;3-chloro-5-propan-2-ylpyridine-2-carbonitrile;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;methane;2-methoxy-1-methyl-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene);2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine;4-propan-2-ylbenzonitrile
CID 157515403
1-chloro-3-(2,2-dimethyl-1-phenylpropyl)benzene;1-chloro-2-[(1S)-2-methyl-1-phenylpropyl]benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;bis(1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene);1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;1-(2-methylpropyl)-2-(trifluoromethyl)benzene
CID 157688431
2-Tert-butyl-1-chloro-3-fluorobenzene;2-tert-butyl-4-chloro-1-fluorobenzene;1-tert-butyl-2-(difluoromethoxy)benzene;1-tert-butyl-4-fluoro-2-(trifluoromethyl)benzene;4-tert-butyl-1-oxidopyridin-1-ium;4-tert-butyl-3-(trifluoromethyl)pyridine
CID 157700124
1-chloro-3-(2,2-dimethyl-1-phenylpropyl)benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;5-ethyl-1-methyl-3-phenylpyrazole;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;2-methylpropylcyclohexane;1-(2-methylpropyl)-2-(trifluoromethyl)benzene
CID 158057582
CID 158250953
CID 158250953
2-Chloro-4-fluoro-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-hydroxy-3-propan-2-ylpyridin-1-ium;1-methoxy-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;1-propan-2-yl-2,4-bis(trifluoromethyl)benzene
CID 158447512
1-Chloro-4-fluoro-2-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyridine;1-chloro-2-propan-2-yl-4-(trifluoromethyl)benzene;1,4-dichloro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methoxy-5-propan-2-ylpyridine;propane
CID 158576955
2-Chloro-3-fluoro-1-methyl-4-propan-2-ylbenzene;2-chloro-5-fluoro-4-propan-2-ylbenzonitrile;2-chloro-1-methyl-4-propan-2-ylbenzene;3-chloro-5-propan-2-ylpyridine-2-carbonitrile;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene);2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine;4-propan-2-ylbenzonitrile
CID 158634433
2-Chloro-1-methyl-4-propan-2-ylbenzene;3-chloro-2-methyl-5-propan-2-ylpyridine;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-methoxy-4-propan-2-ylbenzonitrile;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine
CID 158693386
1-Chloro-4-fluoro-2-methyl-5-propan-2-ylbenzene;2-chloro-3-fluoro-1-methyl-4-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;3-chloro-2-methyl-5-propan-2-ylpyridine;bis(2-(difluoromethyl)-1-methyl-4-propan-2-ylbenzene);1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;methane;2-methoxy-1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine;4-propan-2-ylbenzonitrile
CID 158742040

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(3,3-dimethylbutan-2-yl)benzene;1-chloro-2-[(1S)-2-methyl-1-phenylpropyl]benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1,2-dichloro-4-(2,2-dimethylpropyl)benzene;1,3-dichloro-5-[(1S)-1-phenylethyl]benzene;1,3-dichloro-5-[(1R)-1-phenylethyl]benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;2-(2,2-dimethylpropyl)benzonitrile;1-fluoro-4-[(1R)-2-methyl-1-phenylpropyl]benzene;1-fluoro-4-[(1S)-1-phenylethyl]benzene;3-methylbutan-2-ylbenzene;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;propane?
The IUPAC name of 1-chloro-3-(3,3-dimethylbutan-2-yl)benzene;1-chloro-2-[(1S)-2-methyl-1-phenylpropyl]benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1,2-dichloro-4-(2,2-dimethylpropyl)benzene;1,3-dichloro-5-[(1S)-1-phenylethyl]benzene;1,3-dichloro-5-[(1R)-1-phenylethyl]benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;2-(2,2-dimethylpropyl)benzonitrile;1-fluoro-4-[(1R)-2-methyl-1-phenylpropyl]benzene;1-fluoro-4-[(1S)-1-phenylethyl]benzene;3-methylbutan-2-ylbenzene;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;propane (CID 157116956) is 1-chloro-3-(3,3-dimethylbutan-2-yl)benzene;1-chloro-2-[(1S)-2-methyl-1-phenylpropyl]benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1,2-dichloro-4-(2,2-dimethylpropyl)benzene;1,3-dichloro-5-[(1S)-1-phenylethyl]benzene;1,3-dichloro-5-[(1R)-1-phenylethyl]benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;2-(2,2-dimethylpropyl)benzonitrile;1-fluoro-4-[(1R)-2-methyl-1-phenylpropyl]benzene;1-fluoro-4-[(1S)-1-phenylethyl]benzene;3-methylbutan-2-ylbenzene;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;propane.
What is the SMILES notation for 1-chloro-3-(3,3-dimethylbutan-2-yl)benzene;1-chloro-2-[(1S)-2-methyl-1-phenylpropyl]benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1,2-dichloro-4-(2,2-dimethylpropyl)benzene;1,3-dichloro-5-[(1S)-1-phenylethyl]benzene;1,3-dichloro-5-[(1R)-1-phenylethyl]benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;2-(2,2-dimethylpropyl)benzonitrile;1-fluoro-4-[(1R)-2-methyl-1-phenylpropyl]benzene;1-fluoro-4-[(1S)-1-phenylethyl]benzene;3-methylbutan-2-ylbenzene;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;propane?
The canonical SMILES for 1-chloro-3-(3,3-dimethylbutan-2-yl)benzene;1-chloro-2-[(1S)-2-methyl-1-phenylpropyl]benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1,2-dichloro-4-(2,2-dimethylpropyl)benzene;1,3-dichloro-5-[(1S)-1-phenylethyl]benzene;1,3-dichloro-5-[(1R)-1-phenylethyl]benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;2-(2,2-dimethylpropyl)benzonitrile;1-fluoro-4-[(1R)-2-methyl-1-phenylpropyl]benzene;1-fluoro-4-[(1S)-1-phenylethyl]benzene;3-methylbutan-2-ylbenzene;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;propane is CC(C)(C)C(c1ccccc1)c1cccc(F)c1.CC(C)(C)Cc1ccc(Cl)c(Cl)c1.CC(C)(C)Cc1ccccc1C#N.CC(C)C(C)c1ccccc1.CC(C)[C@@H](c1ccccc1)c1ccccc1Cl.CC(C)[C@@H](c1ccccc1)c1ccncc1.CC(C)[C@H](c1ccccc1)c1ccc(F)cc1.CC(C)[C@H](c1ccccc1)c1ccccc1Cl.CC(C)[C@H](c1ccccc1)c1ccncc1.CC(c1ccc(OC(F)(F)F)cc1)C(C)(C)C.CC(c1cccc(Cl)c1)C(C)(C)C.CCC.CCC.CCC.CCC(c1cc(Cl)cc(Cl)c1)C(C)(C)C.C[C@@H](c1ccccc1)c1cc(Cl)cc(Cl)c1.C[C@@H](c1ccccc1)c1ccc(F)cc1.C[C@H](c1ccccc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-chloro-3-(3,3-dimethylbutan-2-yl)benzene;1-chloro-2-[(1S)-2-methyl-1-phenylpropyl]benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1,2-dichloro-4-(2,2-dimethylpropyl)benzene;1,3-dichloro-5-[(1S)-1-phenylethyl]benzene;1,3-dichloro-5-[(1R)-1-phenylethyl]benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;2-(2,2-dimethylpropyl)benzonitrile;1-fluoro-4-[(1R)-2-methyl-1-phenylpropyl]benzene;1-fluoro-4-[(1S)-1-phenylethyl]benzene;3-methylbutan-2-ylbenzene;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;propane?
The InChIKey is AHNDIDCQLWBCRT-WXWLGCFSSA-N. The full InChI is InChI=1S/C17H19F.2C16H17Cl.C16H17F.2C15H17N.2C14H12Cl2.C14H13F.C13H18Cl2.C13H17F3O.C12H17Cl.C12H15N.C11H14Cl2.C11H16.3C3H8/c1-17(2,3)16(13-8-5-4-6-9-13)14-10-7-11-15(18)12-14;2*1-12(2)16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)17;1-12(2)16(13-6-4-3-5-7-13)14-8-10-15(17)11-9-14;2*1-12(2)15(13-6-4-3-5-7-13)14-8-10-16-11-9-14;2*1-10(11-5-3-2-4-6-11)12-7-13(15)9-14(16)8-12;1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13;1-5-12(13(2,3)4)9-6-10(14)8-11(15)7-9;1-9(12(2,3)4)10-5-7-11(8-6-10)17-13(14,15)16;1-9(12(2,3)4)10-6-5-7-11(13)8-10;1-12(2,3)8-10-6-4-5-7-11(10)9-13;1-11(2,3)7-8-4-5-9(12)10(13)6-8;1-9(2)10(3)11-7-5-4-6-8-11;3*1-3-2/h4-12,16H,1-3H3;3*3-12,16H,1-2H3;2*3-12,15H,1-2H3;2*2-10H,1H3;2-11H,1H3;6-8,12H,5H2,1-4H3;5-9H,1-4H3;5-9H,1-4H3;4-7H,8H2,1-3H3;4-6H,7H2,1-3H3;4-10H,1-3H3;3*3H2,1-2H3/t;3*16-;2*15-;2*10-;11-;;;;;;;;;/m.10110100........./s1.
What are the key properties of 1-chloro-3-(3,3-dimethylbutan-2-yl)benzene;1-chloro-2-[(1S)-2-methyl-1-phenylpropyl]benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1,2-dichloro-4-(2,2-dimethylpropyl)benzene;1,3-dichloro-5-[(1S)-1-phenylethyl]benzene;1,3-dichloro-5-[(1R)-1-phenylethyl]benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;2-(2,2-dimethylpropyl)benzonitrile;1-fluoro-4-[(1R)-2-methyl-1-phenylpropyl]benzene;1-fluoro-4-[(1S)-1-phenylethyl]benzene;3-methylbutan-2-ylbenzene;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;propane?
1-chloro-3-(3,3-dimethylbutan-2-yl)benzene;1-chloro-2-[(1S)-2-methyl-1-phenylpropyl]benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1,2-dichloro-4-(2,2-dimethylpropyl)benzene;1,3-dichloro-5-[(1S)-1-phenylethyl]benzene;1,3-dichloro-5-[(1R)-1-phenylethyl]benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;2-(2,2-dimethylpropyl)benzonitrile;1-fluoro-4-[(1R)-2-methyl-1-phenylpropyl]benzene;1-fluoro-4-[(1S)-1-phenylethyl]benzene;3-methylbutan-2-ylbenzene;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;propane has a molecular weight of 3444.48 g/mol, XLogP of 72.06, 32 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3,3-dimethylbutan-2-yl)benzene;1-chloro-2-[(1S)-2-methyl-1-phenylpropyl]benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene;1,2-dichloro-4-(2,2-dimethylpropyl)benzene;1,3-dichloro-5-[(1S)-1-phenylethyl]benzene;1,3-dichloro-5-[(1R)-1-phenylethyl]benzene;1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;2-(2,2-dimethylpropyl)benzonitrile;1-fluoro-4-[(1R)-2-methyl-1-phenylpropyl]benzene;1-fluoro-4-[(1S)-1-phenylethyl]benzene;3-methylbutan-2-ylbenzene;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;propane is sourced from PubChem (CID 157116956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).