1-(2-chloroethyl)-4-propan-2-ylbenzene;5-chloro-3-fluoro-2-propan-2-ylpyridine;4-chloro-2-methyl-1-propan-2-ylbenzene;3-chloro-2-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-ylthiophene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);5-methyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene

C126H172Cl5F2N3O2S2 — CID 159554155

IUPAC1-(2-chloroethyl)-4-propan-2-ylbenzene;5-chloro-3-fluoro-2-propan-2-ylpyridine;4-chloro-2-methyl-1-propan-2-ylbenzene;3-chloro-2-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-ylthiophene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);5-methyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(CCCl)cc1.CC(C)c1csc(Cl)c1.CC(C)c1ncc(Cl)cc1F.CCOc1ccc(C(C)C)cc1.CCc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1.CSc1ccc(C(C)C)cc1.Cc1cc(Cl)ccc1C(C)C.Cc1ccc(C(C)C)c(F)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)nc1.Cc1nc(C(C)C)ccc1Cl
InChIInChI=1S/C11H15Cl.C11H16O.C11H16.C10H13Cl.C10H13F.C10H14O.C10H14S.2C10H14.C9H12ClN.C9H13N.C8H9ClFN.C7H9ClS/c1-9(2)11-5-3-10(4-6-11)7-8-12;1-4-12-11-7-5-10(6-8-11)9(2)3;1-4-10-5-7-11(8-6-10)9(2)3;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)9-5-4-8(3)6-10(9)11;2*1-8(2)9-4-6-10(11-3)7-5-9;2*1-8(2)10-6-4-9(3)5-7-10;1-6(2)9-5-4-8(10)7(3)11-9;1-7(2)9-5-4-8(3)6-10-9;1-5(2)8-7(10)3-6(9)4-11-8;1-5(2)6-3-7(8)9-4-6/h3-6,9H,7-8H2,1-2H3;5-9H,4H2,1-3H3;5-9H,4H2,1-3H3;2*4-7H,1-3H3;2*4-8H,1-3H3;2*4-8H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;3-5H,1-2H3;3-5H,1-2H3
InChIKeyMFTWRLQPLQCJIJ-UHFFFAOYSA-N
MW2040.18 g/mol
LogP41.99
Rot. Bonds20

About 1-(2-chloroethyl)-4-propan-2-ylbenzene;5-chloro-3-fluoro-2-propan-2-ylpyridine;4-chloro-2-methyl-1-propan-2-ylbenzene;3-chloro-2-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-ylthiophene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);5-methyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene

1-(2-chloroethyl)-4-propan-2-ylbenzene;5-chloro-3-fluoro-2-propan-2-ylpyridine;4-chloro-2-methyl-1-propan-2-ylbenzene;3-chloro-2-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-ylthiophene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);5-methyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene (PubChem CID 159554155) has the molecular formula C126H172Cl5F2N3O2S2 and a molecular weight of 2040.18 g/mol. Its IUPAC name is 1-(2-chloroethyl)-4-propan-2-ylbenzene;5-chloro-3-fluoro-2-propan-2-ylpyridine;4-chloro-2-methyl-1-propan-2-ylbenzene;3-chloro-2-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-ylthiophene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);5-methyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(2-chloroethyl)-4-propan-2-ylbenzene;5-chloro-3-fluoro-2-propan-2-ylpyridine;4-chloro-2-methyl-1-propan-2-ylbenzene;3-chloro-2-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-ylthiophene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);5-methyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene
PubChem CID159554155
Molecular FormulaC126H172Cl5F2N3O2S2
Molecular Weight2040.18 g/mol
Exact Mass2036.13
IUPAC Name1-(2-chloroethyl)-4-propan-2-ylbenzene;5-chloro-3-fluoro-2-propan-2-ylpyridine;4-chloro-2-methyl-1-propan-2-ylbenzene;3-chloro-2-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-ylthiophene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);5-methyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(CCCl)cc1.CC(C)c1csc(Cl)c1.CC(C)c1ncc(Cl)cc1F.CCOc1ccc(C(C)C)cc1.CCc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1.CSc1ccc(C(C)C)cc1.Cc1cc(Cl)ccc1C(C)C.Cc1ccc(C(C)C)c(F)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)nc1.Cc1nc(C(C)C)ccc1Cl
InChIInChI=1S/C11H15Cl.C11H16O.C11H16.C10H13Cl.C10H13F.C10H14O.C10H14S.2C10H14.C9H12ClN.C9H13N.C8H9ClFN.C7H9ClS/c1-9(2)11-5-3-10(4-6-11)7-8-12;1-4-12-11-7-5-10(6-8-11)9(2)3;1-4-10-5-7-11(8-6-10)9(2)3;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)9-5-4-8(3)6-10(9)11;2*1-8(2)9-4-6-10(11-3)7-5-9;2*1-8(2)10-6-4-9(3)5-7-10;1-6(2)9-5-4-8(10)7(3)11-9;1-7(2)9-5-4-8(3)6-10-9;1-5(2)8-7(10)3-6(9)4-11-8;1-5(2)6-3-7(8)9-4-6/h3-6,9H,7-8H2,1-2H3;5-9H,4H2,1-3H3;5-9H,4H2,1-3H3;2*4-7H,1-3H3;2*4-8H,1-3H3;2*4-8H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;3-5H,1-2H3;3-5H,1-2H3
InChIKeyMFTWRLQPLQCJIJ-UHFFFAOYSA-N
XLogP41.99
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms140
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002040.18
LogP ≤ 541.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(2-chloroethyl)-4-propan-2-ylbenzene;5-chloro-3-fluoro-2-propan-2-ylpyridine;4-chloro-2-methyl-1-propan-2-ylbenzene;3-chloro-2-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-ylthiophene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);5-methyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene 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
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
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
CID 161724564
CID 161724564
1-chloro-3-methyl-5-propan-2-ylbenzene;cumene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;bis(1-fluoro-3-methyl-5-propan-2-ylbenzene);2-fluoro-4-methyl-1-propan-2-ylbenzene;3-fluoro-2-methyl-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylbenzene;pentakis(1-methyl-4-propan-2-ylbenzene);3-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylthiophene;pentafluoro-(3-propan-2-ylphenyl)-lambda6-sulfane;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;4-propan-2-yl-3,4-dihydro-2H-chromene
CID 161746943
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
1-Chloro-2,3-dimethylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;2,4-difluoro-1-methylbenzene;1-ethoxy-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-4-methylbenzene;toluene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 157087922
1-chloro-4-ethylbenzene;1-chloro-4-ethyl-2-methylbenzene;ethylbenzene;4-ethylbenzonitrile;1-ethyl-4-fluorobenzene;1-ethyl-4-fluoro-2-methylbenzene;1-ethyl-4-methoxybenzene;1-ethyl-2-methylbenzene;bis(2-ethylpyridine);4-ethylpyridine;5-ethyl-1,3-thiazole;2-ethylthiophene;(3Z)-5-methylidenehepta-1,3-diene;4-methyloxane;propylbenzene
CID 157105047
1-Tert-butyl-4-chloro-2-methylbenzene;2-tert-butyl-1-chloro-3-methylbenzene;2-tert-butyl-5-chloro-3-methylthiophene;2-tert-butyl-3-chlorothiophene;2-tert-butyl-5-chlorothiophene;bis(1-tert-butyl-2,4-dimethylbenzene);3-tert-butyl-2,6-dimethylpyridine;bis(5-tert-butyl-2,4-dimethyl-1,3-thiazole);tris(1-tert-butyl-4-fluoro-2-methylbenzene);1-tert-butyl-4-methoxybenzene;2-tert-butyl-3-methylpyridine;3-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-5-methylthiophene;methane
CID 157410263
1,3-Bis(4-propan-2-ylphenyl)benzene;1,4-bis(4-propan-2-ylphenyl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)naphthalene;1,5-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;1-propan-2-yl-4-propan-2-yloxybenzene;5-propan-2-yl-2-(4-propan-2-ylphenoxy)pyridine;1-propan-2-yl-4-(4-propan-2-ylphenyl)benzene;1,2,4,5-tetrafluoro-3,6-di(propan-2-yl)benzene
CID 158729742
1-chloro-3-fluoro-5-(2-methylpropyl)benzene;1-chloro-3-methyl-5-(2-methylpropyl)benzene;2-chloro-5-(2-methylpropyl)thiophene;1,3-difluoro-5-(3-methylbutan-2-yl)benzene;2-(3,4-difluoro-5-methylphenyl)-3-methylbutan-1-ol;1-fluoro-3-methyl-5-(2-methylpropyl)benzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;3-fluoro-2-methyl-5-(2-methylpropyl)pyridine;2-(3-fluoro-5-methylphenyl)-3-methylbutan-1-ol;3-fluoro-5-(2-methylpropyl)pyridine;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;1-methyl-4-(2-methylpropyl)benzene
CID 159297949

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-4-propan-2-ylbenzene;5-chloro-3-fluoro-2-propan-2-ylpyridine;4-chloro-2-methyl-1-propan-2-ylbenzene;3-chloro-2-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-ylthiophene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);5-methyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene?
The IUPAC name of 1-(2-chloroethyl)-4-propan-2-ylbenzene;5-chloro-3-fluoro-2-propan-2-ylpyridine;4-chloro-2-methyl-1-propan-2-ylbenzene;3-chloro-2-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-ylthiophene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);5-methyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene (CID 159554155) is 1-(2-chloroethyl)-4-propan-2-ylbenzene;5-chloro-3-fluoro-2-propan-2-ylpyridine;4-chloro-2-methyl-1-propan-2-ylbenzene;3-chloro-2-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-ylthiophene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);5-methyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene.
What is the SMILES notation for 1-(2-chloroethyl)-4-propan-2-ylbenzene;5-chloro-3-fluoro-2-propan-2-ylpyridine;4-chloro-2-methyl-1-propan-2-ylbenzene;3-chloro-2-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-ylthiophene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);5-methyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene?
The canonical SMILES for 1-(2-chloroethyl)-4-propan-2-ylbenzene;5-chloro-3-fluoro-2-propan-2-ylpyridine;4-chloro-2-methyl-1-propan-2-ylbenzene;3-chloro-2-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-ylthiophene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);5-methyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene is CC(C)c1ccc(CCCl)cc1.CC(C)c1csc(Cl)c1.CC(C)c1ncc(Cl)cc1F.CCOc1ccc(C(C)C)cc1.CCc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cc1.CSc1ccc(C(C)C)cc1.Cc1cc(Cl)ccc1C(C)C.Cc1ccc(C(C)C)c(F)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)nc1.Cc1nc(C(C)C)ccc1Cl.
What is the InChIKey of 1-(2-chloroethyl)-4-propan-2-ylbenzene;5-chloro-3-fluoro-2-propan-2-ylpyridine;4-chloro-2-methyl-1-propan-2-ylbenzene;3-chloro-2-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-ylthiophene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);5-methyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene?
The InChIKey is MFTWRLQPLQCJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl.C11H16O.C11H16.C10H13Cl.C10H13F.C10H14O.C10H14S.2C10H14.C9H12ClN.C9H13N.C8H9ClFN.C7H9ClS/c1-9(2)11-5-3-10(4-6-11)7-8-12;1-4-12-11-7-5-10(6-8-11)9(2)3;1-4-10-5-7-11(8-6-10)9(2)3;1-7(2)10-5-4-9(11)6-8(10)3;1-7(2)9-5-4-8(3)6-10(9)11;2*1-8(2)9-4-6-10(11-3)7-5-9;2*1-8(2)10-6-4-9(3)5-7-10;1-6(2)9-5-4-8(10)7(3)11-9;1-7(2)9-5-4-8(3)6-10-9;1-5(2)8-7(10)3-6(9)4-11-8;1-5(2)6-3-7(8)9-4-6/h3-6,9H,7-8H2,1-2H3;5-9H,4H2,1-3H3;5-9H,4H2,1-3H3;2*4-7H,1-3H3;2*4-8H,1-3H3;2*4-8H,1-3H3;4-6H,1-3H3;4-7H,1-3H3;3-5H,1-2H3;3-5H,1-2H3.
What are the key properties of 1-(2-chloroethyl)-4-propan-2-ylbenzene;5-chloro-3-fluoro-2-propan-2-ylpyridine;4-chloro-2-methyl-1-propan-2-ylbenzene;3-chloro-2-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-ylthiophene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);5-methyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene?
1-(2-chloroethyl)-4-propan-2-ylbenzene;5-chloro-3-fluoro-2-propan-2-ylpyridine;4-chloro-2-methyl-1-propan-2-ylbenzene;3-chloro-2-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-ylthiophene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);5-methyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene has a molecular weight of 2040.18 g/mol, XLogP of 41.99, 20 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-4-propan-2-ylbenzene;5-chloro-3-fluoro-2-propan-2-ylpyridine;4-chloro-2-methyl-1-propan-2-ylbenzene;3-chloro-2-methyl-6-propan-2-ylpyridine;2-chloro-4-propan-2-ylthiophene;1-ethoxy-4-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);5-methyl-2-propan-2-ylpyridine;1-methylsulfanyl-4-propan-2-ylbenzene is sourced from PubChem (CID 159554155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).