2-chloro-4-[4-(2,2-dimethylpropyl)phenyl]thiophene;2-chloro-5-[4-(2,2-dimethylpropyl)phenyl]thiophene;1-(2,2-dimethylpropyl)-4-(3-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-[3-(methoxymethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-(3-methoxyphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-methoxyphenyl)benzene;[3-[4-(2,2-dimethylpropyl)phenyl]phenyl]methanol;3-[4-(2,2-dimethylpropyl)phenyl]pyridine;4-[4-(2,2-dimethylpropyl)phenyl]pyridine;1-(2,2-dimethylpropyl)-4-[3-(trifluoromethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-[4-(trifluoromethyl)phenyl]benzene

C209H248Cl2F6N2O4S2 — CID 158847347

IUPAC2-chloro-4-[4-(2,2-dimethylpropyl)phenyl]thiophene;2-chloro-5-[4-(2,2-dimethylpropyl)phenyl]thiophene;1-(2,2-dimethylpropyl)-4-(3-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-[3-(methoxymethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-(3-methoxyphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-methoxyphenyl)benzene;[3-[4-(2,2-dimethylpropyl)phenyl]phenyl]methanol;3-[4-(2,2-dimethylpropyl)phenyl]pyridine;4-[4-(2,2-dimethylpropyl)phenyl]pyridine;1-(2,2-dimethylpropyl)-4-[3-(trifluoromethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-[4-(trifluoromethyl)phenyl]benzene
SMILESCC(C)(C)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.CC(C)(C)Cc1ccc(-c2ccc(Cl)s2)cc1.CC(C)(C)Cc1ccc(-c2cccc(C(F)(F)F)c2)cc1.CC(C)(C)Cc1ccc(-c2cccc(CO)c2)cc1.CC(C)(C)Cc1ccc(-c2cccnc2)cc1.CC(C)(C)Cc1ccc(-c2ccncc2)cc1.CC(C)(C)Cc1ccc(-c2csc(Cl)c2)cc1.CCc1ccc(-c2ccc(CC(C)(C)C)cc2)cc1.CCc1cccc(-c2ccc(CC(C)(C)C)cc2)c1.COCc1cccc(-c2ccc(CC(C)(C)C)cc2)c1.COc1ccc(-c2ccc(CC(C)(C)C)cc2)cc1.COc1cccc(-c2ccc(CC(C)(C)C)cc2)c1
InChIInChI=1S/C19H24O.2C19H24.2C18H19F3.3C18H22O.2C16H19N.2C15H17ClS/c1-19(2,3)13-15-8-10-17(11-9-15)18-7-5-6-16(12-18)14-20-4;1-5-15-6-10-17(11-7-15)18-12-8-16(9-13-18)14-19(2,3)4;1-5-15-7-6-8-18(13-15)17-11-9-16(10-12-17)14-19(2,3)4;1-17(2,3)12-13-4-6-14(7-5-13)15-8-10-16(11-9-15)18(19,20)21;1-17(2,3)12-13-7-9-14(10-8-13)15-5-4-6-16(11-15)18(19,20)21;1-18(2,3)13-14-5-7-15(8-6-14)16-9-11-17(19-4)12-10-16;1-18(2,3)13-14-8-10-15(11-9-14)16-6-5-7-17(12-16)19-4;1-18(2,3)12-14-7-9-16(10-8-14)17-6-4-5-15(11-17)13-19;1-16(2,3)12-13-4-6-14(7-5-13)15-8-10-17-11-9-15;1-16(2,3)11-13-6-8-14(9-7-13)15-5-4-10-17-12-15;1-15(2,3)9-11-4-6-12(7-5-11)13-8-14(16)17-10-13;1-15(2,3)10-11-4-6-12(7-5-11)13-8-9-14(16)17-13/h5-12H,13-14H2,1-4H3;2*6-13H,5,14H2,1-4H3;2*4-11H,12H2,1-3H3;2*5-12H,13H2,1-4H3;4-11,19H,12-13H2,1-3H3;4-11H,12H2,1-3H3;4-10,12H,11H2,1-3H3;4-8,10H,9H2,1-3H3;4-9H,10H2,1-3H3
InChIKeyIYZQHUZVWVQMRP-UHFFFAOYSA-N
MW3101.32 g/mol
LogP62.34
Rot. Bonds31

About 2-chloro-4-[4-(2,2-dimethylpropyl)phenyl]thiophene;2-chloro-5-[4-(2,2-dimethylpropyl)phenyl]thiophene;1-(2,2-dimethylpropyl)-4-(3-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-[3-(methoxymethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-(3-methoxyphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-methoxyphenyl)benzene;[3-[4-(2,2-dimethylpropyl)phenyl]phenyl]methanol;3-[4-(2,2-dimethylpropyl)phenyl]pyridine;4-[4-(2,2-dimethylpropyl)phenyl]pyridine;1-(2,2-dimethylpropyl)-4-[3-(trifluoromethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-[4-(trifluoromethyl)phenyl]benzene

2-chloro-4-[4-(2,2-dimethylpropyl)phenyl]thiophene;2-chloro-5-[4-(2,2-dimethylpropyl)phenyl]thiophene;1-(2,2-dimethylpropyl)-4-(3-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-[3-(methoxymethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-(3-methoxyphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-methoxyphenyl)benzene;[3-[4-(2,2-dimethylpropyl)phenyl]phenyl]methanol;3-[4-(2,2-dimethylpropyl)phenyl]pyridine;4-[4-(2,2-dimethylpropyl)phenyl]pyridine;1-(2,2-dimethylpropyl)-4-[3-(trifluoromethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-[4-(trifluoromethyl)phenyl]benzene (PubChem CID 158847347) has the molecular formula C209H248Cl2F6N2O4S2 and a molecular weight of 3101.32 g/mol. Its IUPAC name is 2-chloro-4-[4-(2,2-dimethylpropyl)phenyl]thiophene;2-chloro-5-[4-(2,2-dimethylpropyl)phenyl]thiophene;1-(2,2-dimethylpropyl)-4-(3-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-[3-(methoxymethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-(3-methoxyphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-methoxyphenyl)benzene;[3-[4-(2,2-dimethylpropyl)phenyl]phenyl]methanol;3-[4-(2,2-dimethylpropyl)phenyl]pyridine;4-[4-(2,2-dimethylpropyl)phenyl]pyridine;1-(2,2-dimethylpropyl)-4-[3-(trifluoromethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-[4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name2-chloro-4-[4-(2,2-dimethylpropyl)phenyl]thiophene;2-chloro-5-[4-(2,2-dimethylpropyl)phenyl]thiophene;1-(2,2-dimethylpropyl)-4-(3-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-[3-(methoxymethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-(3-methoxyphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-methoxyphenyl)benzene;[3-[4-(2,2-dimethylpropyl)phenyl]phenyl]methanol;3-[4-(2,2-dimethylpropyl)phenyl]pyridine;4-[4-(2,2-dimethylpropyl)phenyl]pyridine;1-(2,2-dimethylpropyl)-4-[3-(trifluoromethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-[4-(trifluoromethyl)phenyl]benzene
PubChem CID158847347
Molecular FormulaC209H248Cl2F6N2O4S2
Molecular Weight3101.32 g/mol
Exact Mass3097.80
IUPAC Name2-chloro-4-[4-(2,2-dimethylpropyl)phenyl]thiophene;2-chloro-5-[4-(2,2-dimethylpropyl)phenyl]thiophene;1-(2,2-dimethylpropyl)-4-(3-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-[3-(methoxymethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-(3-methoxyphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-methoxyphenyl)benzene;[3-[4-(2,2-dimethylpropyl)phenyl]phenyl]methanol;3-[4-(2,2-dimethylpropyl)phenyl]pyridine;4-[4-(2,2-dimethylpropyl)phenyl]pyridine;1-(2,2-dimethylpropyl)-4-[3-(trifluoromethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-[4-(trifluoromethyl)phenyl]benzene
SMILESCC(C)(C)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.CC(C)(C)Cc1ccc(-c2ccc(Cl)s2)cc1.CC(C)(C)Cc1ccc(-c2cccc(C(F)(F)F)c2)cc1.CC(C)(C)Cc1ccc(-c2cccc(CO)c2)cc1.CC(C)(C)Cc1ccc(-c2cccnc2)cc1.CC(C)(C)Cc1ccc(-c2ccncc2)cc1.CC(C)(C)Cc1ccc(-c2csc(Cl)c2)cc1.CCc1ccc(-c2ccc(CC(C)(C)C)cc2)cc1.CCc1cccc(-c2ccc(CC(C)(C)C)cc2)c1.COCc1cccc(-c2ccc(CC(C)(C)C)cc2)c1.COc1ccc(-c2ccc(CC(C)(C)C)cc2)cc1.COc1cccc(-c2ccc(CC(C)(C)C)cc2)c1
InChIInChI=1S/C19H24O.2C19H24.2C18H19F3.3C18H22O.2C16H19N.2C15H17ClS/c1-19(2,3)13-15-8-10-17(11-9-15)18-7-5-6-16(12-18)14-20-4;1-5-15-6-10-17(11-7-15)18-12-8-16(9-13-18)14-19(2,3)4;1-5-15-7-6-8-18(13-15)17-11-9-16(10-12-17)14-19(2,3)4;1-17(2,3)12-13-4-6-14(7-5-13)15-8-10-16(11-9-15)18(19,20)21;1-17(2,3)12-13-7-9-14(10-8-13)15-5-4-6-16(11-15)18(19,20)21;1-18(2,3)13-14-5-7-15(8-6-14)16-9-11-17(19-4)12-10-16;1-18(2,3)13-14-8-10-15(11-9-14)16-6-5-7-17(12-16)19-4;1-18(2,3)12-14-7-9-16(10-8-14)17-6-4-5-15(11-17)13-19;1-16(2,3)12-13-4-6-14(7-5-13)15-8-10-17-11-9-15;1-16(2,3)11-13-6-8-14(9-7-13)15-5-4-10-17-12-15;1-15(2,3)9-11-4-6-12(7-5-11)13-8-14(16)17-10-13;1-15(2,3)10-11-4-6-12(7-5-11)13-8-9-14(16)17-13/h5-12H,13-14H2,1-4H3;2*6-13H,5,14H2,1-4H3;2*4-11H,12H2,1-3H3;2*5-12H,13H2,1-4H3;4-11,19H,12-13H2,1-3H3;4-11H,12H2,1-3H3;4-10,12H,11H2,1-3H3;4-8,10H,9H2,1-3H3;4-9H,10H2,1-3H3
InChIKeyIYZQHUZVWVQMRP-UHFFFAOYSA-N
XLogP62.34
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds31
Heavy Atoms225
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003101.32
LogP ≤ 562.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-chloro-4-[4-(2,2-dimethylpropyl)phenyl]thiophene;2-chloro-5-[4-(2,2-dimethylpropyl)phenyl]thiophene;1-(2,2-dimethylpropyl)-4-(3-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-[3-(methoxymethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-(3-methoxyphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-methoxyphenyl)benzene;[3-[4-(2,2-dimethylpropyl)phenyl]phenyl]methanol;3-[4-(2,2-dimethylpropyl)phenyl]pyridine;4-[4-(2,2-dimethylpropyl)phenyl]pyridine;1-(2,2-dimethylpropyl)-4-[3-(trifluoromethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-[4-(trifluoromethyl)phenyl]benzene with MolForge

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Related Compounds

1-(Cyclohexylmethylidene)-4-propan-2-ylcyclohexane;2,4-dichloro-1-[(4-propan-2-ylcyclohexylidene)methyl]benzene;1,4-difluoro-2-[(4-propan-2-ylcyclohexylidene)methyl]benzene;1-(2,2-dimethylpropylidene)-4-propan-2-ylcyclohexane;1-(2-ethylbutylidene)-4-propan-2-ylcyclohexane;1-(2-methylpropylidene)-4-propan-2-ylcyclohexane;4-[(4-propan-2-ylcyclohexylidene)methyl]oxane;2-[(4-propan-2-ylcyclohexylidene)methyl]pyridine;3-[(4-propan-2-ylcyclohexylidene)methyl]pyridine;4-[(4-propan-2-ylcyclohexylidene)methyl]pyridine;2-[(4-propan-2-ylcyclohexylidene)methyl]thiophene;3-[(4-propan-2-ylcyclohexylidene)methyl]thiophene;1-[(4-propan-2-ylcyclohexylidene)methyl]-3-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexylidene)methyl]-4-(trifluoromethoxy)benzene;(4-propan-2-ylcyclohexyl)methylbenzene
CID 157470957
2-Chloro-1-methyl-4-propan-2-ylbenzene;cumene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);2-methylbutane;3-methylbutylbenzene;2-methylpropane;tris(1-methyl-4-propan-2-ylbenzene);1-phenyl-3-propan-2-ylbenzene;5-propan-2-ylbicyclo[2.2.1]hept-2-ene;propan-2-ylcyclohexane;1-propan-2-ylnaphthalene;(2-propan-2-ylphenyl)methanol;3-propan-2-ylpyridine;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethoxy)benzene
CID 157480403
1-Tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-2-chloro-4-fluorobenzene;1-tert-butyl-2-chloro-4-methoxybenzene;1-tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-5-chlorothiophene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methylbenzene;1-tert-butyl-4-methylbenzene;3-tert-butylpyridine;2-tert-butylthiophene;1-tert-butyl-3-(trifluoromethyl)benzene;toluene
CID 157790726
1-Chloro-4-methylbenzene;2,4-difluoro-1-methylbenzene;2,2-dimethylpropane;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-4-methylbenzene;1-methoxypropane;4-methylbenzonitrile;methylcyclohexane;4-methylcyclohexan-1-ol;methylcyclopentane;2-methylnaphthalene;4-methyloxane;3-methyloxetane;3-methyloxolane;2-methylpyridine;2-methylthiophene;pentane;toluene;1,3,5-trifluoro-2-methylbenzene;1,1,1-trifluoropropane
CID 157963483
CID 158375910
CID 158375910
1-Chloro-3-[4-(2,2-dimethylpropyl)phenyl]benzene;1-chloro-4-[4-(2,2-dimethylpropyl)phenyl]benzene;2-chloro-4-[4-(2,2-dimethylpropyl)phenyl]thiophene;2-chloro-5-[4-(2,2-dimethylpropyl)phenyl]thiophene;1-(2,2-dimethylpropyl)-4-(3-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-[3-(methoxymethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-(3-methoxyphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-methoxyphenyl)benzene;4-(2,2-dimethylpropyl)-2-methyl-1-phenylbenzene;[3-[4-(2,2-dimethylpropyl)phenyl]phenyl]methanol;3-[4-(2,2-dimethylpropyl)phenyl]pyridine;4-[4-(2,2-dimethylpropyl)phenyl]pyridine;1-(2,2-dimethylpropyl)-4-[3-(trifluoromethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-[4-(trifluoromethyl)phenyl]benzene
CID 160033737
1-Tert-butyl-3-chlorobenzene;2-tert-butyl-1,4-dichlorobenzene;1-tert-butyl-3-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;(2-tert-butyl-4-methylphenyl)methanol;(5-tert-butyl-2-methylphenyl)methanol;5-tert-butyl-2-methylpyridine;4-tert-butyl-1-methyl-2-(trifluoromethyl)benzene;2-tert-butyl-1,3-thiazole;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-3-(trifluoromethyl)benzene;1-tert-butyl-4-(trifluoromethyl)benzene;2-methylpyridine
CID 160284391
CID 161724564
CID 161724564
1-(Cyclohexylmethylidene)-4-propan-2-ylcyclohexane;2,4-dichloro-1-[(4-propan-2-ylcyclohexylidene)methyl]benzene;1-(2,2-dimethylpropylidene)-4-propan-2-ylcyclohexane;1-(2-ethylbutylidene)-4-propan-2-ylcyclohexane;1-(2-methylpropylidene)-4-propan-2-ylcyclohexane;4-[(4-propan-2-ylcyclohexylidene)methyl]oxane;3-[(4-propan-2-ylcyclohexylidene)methyl]pyridine;4-[(4-propan-2-ylcyclohexylidene)methyl]pyridine;2-[(4-propan-2-ylcyclohexylidene)methyl]thiophene;3-[(4-propan-2-ylcyclohexylidene)methyl]thiophene;1-[(4-propan-2-ylcyclohexylidene)methyl]-3-(trifluoromethoxy)benzene;1-[(4-propan-2-ylcyclohexylidene)methyl]-4-(trifluoromethoxy)benzene
CID 161982399
2-Chloro-1-methyl-4-propan-2-ylbenzene;cumene;1,3-difluoro-2-methyl-5-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;bis(2-fluoro-1-methyl-4-propan-2-ylbenzene);methane;2-methylbutane;3-methylbutylbenzene;2-methylpropane;tris(1-methyl-4-propan-2-ylbenzene);1-phenyl-3-propan-2-ylbenzene;5-propan-2-ylbicyclo[2.2.1]hept-2-ene;propan-2-ylcyclohexane;1-propan-2-ylnaphthalene;(2-propan-2-ylphenyl)methanol;3-propan-2-ylpyridine;2-propan-2-ylthiophene;1-propan-2-yl-3-(trifluoromethoxy)benzene
CID 162100577
2-[18-[1-[18-[1-[14,22-Bis(4-methoxyphenyl)-18-methyl-9-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaenyl]-2-methylpropan-2-yl]-14,22-dithiophen-2-yl-9-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl]-2-methylpropan-2-yl]-14-pyridin-2-yl-22-hexacyclo[14.6.2.02,11.03,8.013,23.020,24]tetracosa-1,3,5,7,9,11,13(23),14,16,18,20(24),21-dodecaenyl]pyridine
CID 156035191
2-[3-Ethyl-2-hydroxy-5-[1-(4-methoxyphenyl)propyl]phenyl]-4-[1-(4-methoxyphenyl)ethyl]-6-methylphenol;2-[3-ethyl-2-hydroxy-5-(1-pyridin-4-ylpropyl)phenyl]-6-methyl-4-(1-pyridin-4-ylethyl)phenol;2-[3-ethyl-2-hydroxy-5-(1-thiophen-3-ylpropyl)phenyl]-6-methyl-4-(1-thiophen-3-ylethyl)phenol
CID 158263790

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-(2,2-dimethylpropyl)phenyl]thiophene;2-chloro-5-[4-(2,2-dimethylpropyl)phenyl]thiophene;1-(2,2-dimethylpropyl)-4-(3-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-[3-(methoxymethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-(3-methoxyphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-methoxyphenyl)benzene;[3-[4-(2,2-dimethylpropyl)phenyl]phenyl]methanol;3-[4-(2,2-dimethylpropyl)phenyl]pyridine;4-[4-(2,2-dimethylpropyl)phenyl]pyridine;1-(2,2-dimethylpropyl)-4-[3-(trifluoromethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-[4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 2-chloro-4-[4-(2,2-dimethylpropyl)phenyl]thiophene;2-chloro-5-[4-(2,2-dimethylpropyl)phenyl]thiophene;1-(2,2-dimethylpropyl)-4-(3-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-[3-(methoxymethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-(3-methoxyphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-methoxyphenyl)benzene;[3-[4-(2,2-dimethylpropyl)phenyl]phenyl]methanol;3-[4-(2,2-dimethylpropyl)phenyl]pyridine;4-[4-(2,2-dimethylpropyl)phenyl]pyridine;1-(2,2-dimethylpropyl)-4-[3-(trifluoromethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-[4-(trifluoromethyl)phenyl]benzene (CID 158847347) is 2-chloro-4-[4-(2,2-dimethylpropyl)phenyl]thiophene;2-chloro-5-[4-(2,2-dimethylpropyl)phenyl]thiophene;1-(2,2-dimethylpropyl)-4-(3-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-[3-(methoxymethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-(3-methoxyphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-methoxyphenyl)benzene;[3-[4-(2,2-dimethylpropyl)phenyl]phenyl]methanol;3-[4-(2,2-dimethylpropyl)phenyl]pyridine;4-[4-(2,2-dimethylpropyl)phenyl]pyridine;1-(2,2-dimethylpropyl)-4-[3-(trifluoromethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-[4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 2-chloro-4-[4-(2,2-dimethylpropyl)phenyl]thiophene;2-chloro-5-[4-(2,2-dimethylpropyl)phenyl]thiophene;1-(2,2-dimethylpropyl)-4-(3-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-[3-(methoxymethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-(3-methoxyphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-methoxyphenyl)benzene;[3-[4-(2,2-dimethylpropyl)phenyl]phenyl]methanol;3-[4-(2,2-dimethylpropyl)phenyl]pyridine;4-[4-(2,2-dimethylpropyl)phenyl]pyridine;1-(2,2-dimethylpropyl)-4-[3-(trifluoromethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-[4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 2-chloro-4-[4-(2,2-dimethylpropyl)phenyl]thiophene;2-chloro-5-[4-(2,2-dimethylpropyl)phenyl]thiophene;1-(2,2-dimethylpropyl)-4-(3-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-[3-(methoxymethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-(3-methoxyphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-methoxyphenyl)benzene;[3-[4-(2,2-dimethylpropyl)phenyl]phenyl]methanol;3-[4-(2,2-dimethylpropyl)phenyl]pyridine;4-[4-(2,2-dimethylpropyl)phenyl]pyridine;1-(2,2-dimethylpropyl)-4-[3-(trifluoromethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-[4-(trifluoromethyl)phenyl]benzene is CC(C)(C)Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.CC(C)(C)Cc1ccc(-c2ccc(Cl)s2)cc1.CC(C)(C)Cc1ccc(-c2cccc(C(F)(F)F)c2)cc1.CC(C)(C)Cc1ccc(-c2cccc(CO)c2)cc1.CC(C)(C)Cc1ccc(-c2cccnc2)cc1.CC(C)(C)Cc1ccc(-c2ccncc2)cc1.CC(C)(C)Cc1ccc(-c2csc(Cl)c2)cc1.CCc1ccc(-c2ccc(CC(C)(C)C)cc2)cc1.CCc1cccc(-c2ccc(CC(C)(C)C)cc2)c1.COCc1cccc(-c2ccc(CC(C)(C)C)cc2)c1.COc1ccc(-c2ccc(CC(C)(C)C)cc2)cc1.COc1cccc(-c2ccc(CC(C)(C)C)cc2)c1.
What is the InChIKey of 2-chloro-4-[4-(2,2-dimethylpropyl)phenyl]thiophene;2-chloro-5-[4-(2,2-dimethylpropyl)phenyl]thiophene;1-(2,2-dimethylpropyl)-4-(3-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-[3-(methoxymethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-(3-methoxyphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-methoxyphenyl)benzene;[3-[4-(2,2-dimethylpropyl)phenyl]phenyl]methanol;3-[4-(2,2-dimethylpropyl)phenyl]pyridine;4-[4-(2,2-dimethylpropyl)phenyl]pyridine;1-(2,2-dimethylpropyl)-4-[3-(trifluoromethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-[4-(trifluoromethyl)phenyl]benzene?
The InChIKey is IYZQHUZVWVQMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O.2C19H24.2C18H19F3.3C18H22O.2C16H19N.2C15H17ClS/c1-19(2,3)13-15-8-10-17(11-9-15)18-7-5-6-16(12-18)14-20-4;1-5-15-6-10-17(11-7-15)18-12-8-16(9-13-18)14-19(2,3)4;1-5-15-7-6-8-18(13-15)17-11-9-16(10-12-17)14-19(2,3)4;1-17(2,3)12-13-4-6-14(7-5-13)15-8-10-16(11-9-15)18(19,20)21;1-17(2,3)12-13-7-9-14(10-8-13)15-5-4-6-16(11-15)18(19,20)21;1-18(2,3)13-14-5-7-15(8-6-14)16-9-11-17(19-4)12-10-16;1-18(2,3)13-14-8-10-15(11-9-14)16-6-5-7-17(12-16)19-4;1-18(2,3)12-14-7-9-16(10-8-14)17-6-4-5-15(11-17)13-19;1-16(2,3)12-13-4-6-14(7-5-13)15-8-10-17-11-9-15;1-16(2,3)11-13-6-8-14(9-7-13)15-5-4-10-17-12-15;1-15(2,3)9-11-4-6-12(7-5-11)13-8-14(16)17-10-13;1-15(2,3)10-11-4-6-12(7-5-11)13-8-9-14(16)17-13/h5-12H,13-14H2,1-4H3;2*6-13H,5,14H2,1-4H3;2*4-11H,12H2,1-3H3;2*5-12H,13H2,1-4H3;4-11,19H,12-13H2,1-3H3;4-11H,12H2,1-3H3;4-10,12H,11H2,1-3H3;4-8,10H,9H2,1-3H3;4-9H,10H2,1-3H3.
What are the key properties of 2-chloro-4-[4-(2,2-dimethylpropyl)phenyl]thiophene;2-chloro-5-[4-(2,2-dimethylpropyl)phenyl]thiophene;1-(2,2-dimethylpropyl)-4-(3-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-[3-(methoxymethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-(3-methoxyphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-methoxyphenyl)benzene;[3-[4-(2,2-dimethylpropyl)phenyl]phenyl]methanol;3-[4-(2,2-dimethylpropyl)phenyl]pyridine;4-[4-(2,2-dimethylpropyl)phenyl]pyridine;1-(2,2-dimethylpropyl)-4-[3-(trifluoromethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-[4-(trifluoromethyl)phenyl]benzene?
2-chloro-4-[4-(2,2-dimethylpropyl)phenyl]thiophene;2-chloro-5-[4-(2,2-dimethylpropyl)phenyl]thiophene;1-(2,2-dimethylpropyl)-4-(3-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-[3-(methoxymethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-(3-methoxyphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-methoxyphenyl)benzene;[3-[4-(2,2-dimethylpropyl)phenyl]phenyl]methanol;3-[4-(2,2-dimethylpropyl)phenyl]pyridine;4-[4-(2,2-dimethylpropyl)phenyl]pyridine;1-(2,2-dimethylpropyl)-4-[3-(trifluoromethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-[4-(trifluoromethyl)phenyl]benzene has a molecular weight of 3101.32 g/mol, XLogP of 62.34, 31 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-(2,2-dimethylpropyl)phenyl]thiophene;2-chloro-5-[4-(2,2-dimethylpropyl)phenyl]thiophene;1-(2,2-dimethylpropyl)-4-(3-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-ethylphenyl)benzene;1-(2,2-dimethylpropyl)-4-[3-(methoxymethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-(3-methoxyphenyl)benzene;1-(2,2-dimethylpropyl)-4-(4-methoxyphenyl)benzene;[3-[4-(2,2-dimethylpropyl)phenyl]phenyl]methanol;3-[4-(2,2-dimethylpropyl)phenyl]pyridine;4-[4-(2,2-dimethylpropyl)phenyl]pyridine;1-(2,2-dimethylpropyl)-4-[3-(trifluoromethyl)phenyl]benzene;1-(2,2-dimethylpropyl)-4-[4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 158847347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).