1-chloro-4-(2-methylpropyl)benzene;2,3-dimethylbut-1-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;4-methoxy-2-methyl-1-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;2-methylbutane;3-methylbut-1-en-2-ylbenzene;2-(3-methylbut-1-en-2-yl)pyridine;4-(3-methylbut-1-en-2-yl)pyridine;2-methylheptane;2-methylhexane;2-methyl-3-methylidenepentane;1-methyl-2-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpentane;2-methylpropane;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-3-(propan-2-ylsulfonylmethyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)-3H-pyrrole;2-methylsulfonylpropane

C239H374ClF2N7O8S3 — CID 159641560

IUPAC1-chloro-4-(2-methylpropyl)benzene;2,3-dimethylbut-1-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;4-methoxy-2-methyl-1-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;2-methylbutane;3-methylbut-1-en-2-ylbenzene;2-(3-methylbut-1-en-2-yl)pyridine;4-(3-methylbut-1-en-2-yl)pyridine;2-methylheptane;2-methylhexane;2-methyl-3-methylidenepentane;1-methyl-2-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpentane;2-methylpropane;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-3-(propan-2-ylsulfonylmethyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)-3H-pyrrole;2-methylsulfonylpropane
SMILESC=C(C)C(C)C.C=C(CC)C(C)C.C=C(c1ccccc1)C(C)C.C=C(c1ccccn1)C(C)C.C=C(c1ccncc1)C(C)C.CC(C)C.CC(C)CC1=CC=CC1.CC(C)CC1=CN=CC1.CC(C)Cc1ccc(C#N)cc1.CC(C)Cc1ccc(Cl)cc1.CC(C)Cc1ccc(F)cc1.CC(C)Cc1cccc(F)c1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.CC(C)S(C)(=O)=O.CCC(C)C.CCCC(C)C.CCCCC(C)C.CCCCCC(C)C.COc1ccc(CC(C)C)c(C)c1.COc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1.Cc1ccc(S(=O)(=O)C(C)C)cc1.Cc1cccc(CS(=O)(=O)C(C)C)c1.Cc1ccccc1CC(C)C
InChIInChI=1S/C12H18O.C11H13N.C11H16O2S.C11H16O.2C11H16.C11H14.C10H13Cl.2C10H13F.2C10H13N.C10H14O2S.C10H14.3C9H13N.C9H14.C8H13N.C8H18.C7H14.C7H16.C6H12.C6H14.C5H12.C4H10O2S.C4H10/c1-9(2)7-11-5-6-12(13-4)8-10(11)3;1-9(2)7-10-3-5-11(8-12)6-4-10;1-9(2)14(12,13)8-11-6-4-5-10(3)7-11;1-9(2)8-10-4-6-11(12-3)7-5-10;1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)8-11-7-5-4-6-10(11)3;1-9(2)10(3)11-7-5-4-6-8-11;2*1-8(2)7-9-3-5-10(11)6-4-9;1-8(2)6-9-4-3-5-10(11)7-9;1-8(2)9(3)10-4-6-11-7-5-10;1-8(2)9(3)10-6-4-5-7-11-10;1-8(2)13(11,12)10-6-4-9(3)5-7-10;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-8(2)7-9-5-3-4-6-9;1-7(2)5-8-3-4-9-6-8;1-4-5-6-7-8(2)3;1-5-7(4)6(2)3;1-4-5-6-7(2)3;1-5(2)6(3)4;1-4-5-6(2)3;1-4-5(2)3;1-4(2)7(3,5)6;1-4(2)3/h5-6,8-9H,7H2,1-4H3;3-6,9H,7H2,1-2H3;4-7,9H,8H2,1-3H3;4-7,9H,8H2,1-3H3;2*4-7,9H,8H2,1-3H3;4-9H,3H2,1-2H3;2*3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;2*4-8H,3H2,1-2H3;4-8H,1-3H3;3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,8H,6-7H2,1-2H3;4,6-7H,3,5H2,1-2H3;8H,4-7H2,1-3H3;6H,4-5H2,1-3H3;7H,4-6H2,1-3H3;6H,1H2,2-4H3;6H,4-5H2,1-3H3;5H,4H2,1-3H3;4H,1-3H3;4H,1-3H3
InChIKeyMQKNEYIGEBGBDF-UHFFFAOYSA-N
MW3643.31 g/mol
LogP70.69
Rot. Bonds55

About 1-chloro-4-(2-methylpropyl)benzene;2,3-dimethylbut-1-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;4-methoxy-2-methyl-1-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;2-methylbutane;3-methylbut-1-en-2-ylbenzene;2-(3-methylbut-1-en-2-yl)pyridine;4-(3-methylbut-1-en-2-yl)pyridine;2-methylheptane;2-methylhexane;2-methyl-3-methylidenepentane;1-methyl-2-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpentane;2-methylpropane;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-3-(propan-2-ylsulfonylmethyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)-3H-pyrrole;2-methylsulfonylpropane

1-chloro-4-(2-methylpropyl)benzene;2,3-dimethylbut-1-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;4-methoxy-2-methyl-1-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;2-methylbutane;3-methylbut-1-en-2-ylbenzene;2-(3-methylbut-1-en-2-yl)pyridine;4-(3-methylbut-1-en-2-yl)pyridine;2-methylheptane;2-methylhexane;2-methyl-3-methylidenepentane;1-methyl-2-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpentane;2-methylpropane;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-3-(propan-2-ylsulfonylmethyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)-3H-pyrrole;2-methylsulfonylpropane (PubChem CID 159641560) has the molecular formula C239H374ClF2N7O8S3 and a molecular weight of 3643.31 g/mol. Its IUPAC name is 1-chloro-4-(2-methylpropyl)benzene;2,3-dimethylbut-1-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;4-methoxy-2-methyl-1-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;2-methylbutane;3-methylbut-1-en-2-ylbenzene;2-(3-methylbut-1-en-2-yl)pyridine;4-(3-methylbut-1-en-2-yl)pyridine;2-methylheptane;2-methylhexane;2-methyl-3-methylidenepentane;1-methyl-2-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpentane;2-methylpropane;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-3-(propan-2-ylsulfonylmethyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)-3H-pyrrole;2-methylsulfonylpropane.

Molecular Properties

Compound Name1-chloro-4-(2-methylpropyl)benzene;2,3-dimethylbut-1-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;4-methoxy-2-methyl-1-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;2-methylbutane;3-methylbut-1-en-2-ylbenzene;2-(3-methylbut-1-en-2-yl)pyridine;4-(3-methylbut-1-en-2-yl)pyridine;2-methylheptane;2-methylhexane;2-methyl-3-methylidenepentane;1-methyl-2-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpentane;2-methylpropane;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-3-(propan-2-ylsulfonylmethyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)-3H-pyrrole;2-methylsulfonylpropane
PubChem CID159641560
Molecular FormulaC239H374ClF2N7O8S3
Molecular Weight3643.31 g/mol
Exact Mass3639.79
IUPAC Name1-chloro-4-(2-methylpropyl)benzene;2,3-dimethylbut-1-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;4-methoxy-2-methyl-1-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;2-methylbutane;3-methylbut-1-en-2-ylbenzene;2-(3-methylbut-1-en-2-yl)pyridine;4-(3-methylbut-1-en-2-yl)pyridine;2-methylheptane;2-methylhexane;2-methyl-3-methylidenepentane;1-methyl-2-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpentane;2-methylpropane;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-3-(propan-2-ylsulfonylmethyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)-3H-pyrrole;2-methylsulfonylpropane
SMILESC=C(C)C(C)C.C=C(CC)C(C)C.C=C(c1ccccc1)C(C)C.C=C(c1ccccn1)C(C)C.C=C(c1ccncc1)C(C)C.CC(C)C.CC(C)CC1=CC=CC1.CC(C)CC1=CN=CC1.CC(C)Cc1ccc(C#N)cc1.CC(C)Cc1ccc(Cl)cc1.CC(C)Cc1ccc(F)cc1.CC(C)Cc1cccc(F)c1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.CC(C)S(C)(=O)=O.CCC(C)C.CCCC(C)C.CCCCC(C)C.CCCCCC(C)C.COc1ccc(CC(C)C)c(C)c1.COc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1.Cc1ccc(S(=O)(=O)C(C)C)cc1.Cc1cccc(CS(=O)(=O)C(C)C)c1.Cc1ccccc1CC(C)C
InChIInChI=1S/C12H18O.C11H13N.C11H16O2S.C11H16O.2C11H16.C11H14.C10H13Cl.2C10H13F.2C10H13N.C10H14O2S.C10H14.3C9H13N.C9H14.C8H13N.C8H18.C7H14.C7H16.C6H12.C6H14.C5H12.C4H10O2S.C4H10/c1-9(2)7-11-5-6-12(13-4)8-10(11)3;1-9(2)7-10-3-5-11(8-12)6-4-10;1-9(2)14(12,13)8-11-6-4-5-10(3)7-11;1-9(2)8-10-4-6-11(12-3)7-5-10;1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)8-11-7-5-4-6-10(11)3;1-9(2)10(3)11-7-5-4-6-8-11;2*1-8(2)7-9-3-5-10(11)6-4-9;1-8(2)6-9-4-3-5-10(11)7-9;1-8(2)9(3)10-4-6-11-7-5-10;1-8(2)9(3)10-6-4-5-7-11-10;1-8(2)13(11,12)10-6-4-9(3)5-7-10;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-8(2)7-9-5-3-4-6-9;1-7(2)5-8-3-4-9-6-8;1-4-5-6-7-8(2)3;1-5-7(4)6(2)3;1-4-5-6-7(2)3;1-5(2)6(3)4;1-4-5-6(2)3;1-4-5(2)3;1-4(2)7(3,5)6;1-4(2)3/h5-6,8-9H,7H2,1-4H3;3-6,9H,7H2,1-2H3;4-7,9H,8H2,1-3H3;4-7,9H,8H2,1-3H3;2*4-7,9H,8H2,1-3H3;4-9H,3H2,1-2H3;2*3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;2*4-8H,3H2,1-2H3;4-8H,1-3H3;3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,8H,6-7H2,1-2H3;4,6-7H,3,5H2,1-2H3;8H,4-7H2,1-3H3;6H,4-5H2,1-3H3;7H,4-6H2,1-3H3;6H,1H2,2-4H3;6H,4-5H2,1-3H3;5H,4H2,1-3H3;4H,1-3H3;4H,1-3H3
InChIKeyMQKNEYIGEBGBDF-UHFFFAOYSA-N
XLogP70.69
TPSA221.48 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds55
Heavy Atoms260
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003643.31
LogP ≤ 570.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 1-chloro-4-(2-methylpropyl)benzene;2,3-dimethylbut-1-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;4-methoxy-2-methyl-1-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;2-methylbutane;3-methylbut-1-en-2-ylbenzene;2-(3-methylbut-1-en-2-yl)pyridine;4-(3-methylbut-1-en-2-yl)pyridine;2-methylheptane;2-methylhexane;2-methyl-3-methylidenepentane;1-methyl-2-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpentane;2-methylpropane;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-3-(propan-2-ylsulfonylmethyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)-3H-pyrrole;2-methylsulfonylpropane with MolForge

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Related Compounds

CID 157608872
CID 157608872
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1-(Tert-butylsulfonylmethyl)-4-chlorobenzene;1-(tert-butylsulfonylmethyl)-2-chloro-4-fluorobenzene;1-(tert-butylsulfonylmethyl)-4-chloro-2-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-chloro-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-chloropyridine;4-(tert-butylsulfonylmethyl)-1,2-dimethylbenzene;1-(tert-butylsulfonylmethyl)-4-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-fluoro-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxypyridine;1-(tert-butylsulfonylmethyl)-2-methylbenzene;4-(tert-butylsulfonylmethyl)phenol
CID 160973655
1-(Tert-butylsulfonylmethyl)-4-chlorobenzene;1-(tert-butylsulfonylmethyl)-2-chloro-4-fluorobenzene;1-(tert-butylsulfonylmethyl)-4-chloro-2-fluorobenzene;4-(tert-butylsulfonylmethyl)-2-chloro-1-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-chloro-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-chloropyridine;4-(tert-butylsulfonylmethyl)-1,2-dimethylbenzene;1-(tert-butylsulfonylmethyl)-4-fluorobenzene;5-(tert-butylsulfonylmethyl)-2-fluoro-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-3-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxy-4-methylpyridine;5-(tert-butylsulfonylmethyl)-2-methoxypyridine;1-(tert-butylsulfonylmethyl)-2-methylbenzene;3-(tert-butylsulfonylmethyl)phenol;4-(tert-butylsulfonylmethyl)phenol
CID 161151826

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2-methylpropyl)benzene;2,3-dimethylbut-1-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;4-methoxy-2-methyl-1-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;2-methylbutane;3-methylbut-1-en-2-ylbenzene;2-(3-methylbut-1-en-2-yl)pyridine;4-(3-methylbut-1-en-2-yl)pyridine;2-methylheptane;2-methylhexane;2-methyl-3-methylidenepentane;1-methyl-2-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpentane;2-methylpropane;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-3-(propan-2-ylsulfonylmethyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)-3H-pyrrole;2-methylsulfonylpropane?
The IUPAC name of 1-chloro-4-(2-methylpropyl)benzene;2,3-dimethylbut-1-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;4-methoxy-2-methyl-1-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;2-methylbutane;3-methylbut-1-en-2-ylbenzene;2-(3-methylbut-1-en-2-yl)pyridine;4-(3-methylbut-1-en-2-yl)pyridine;2-methylheptane;2-methylhexane;2-methyl-3-methylidenepentane;1-methyl-2-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpentane;2-methylpropane;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-3-(propan-2-ylsulfonylmethyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)-3H-pyrrole;2-methylsulfonylpropane (CID 159641560) is 1-chloro-4-(2-methylpropyl)benzene;2,3-dimethylbut-1-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;4-methoxy-2-methyl-1-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;2-methylbutane;3-methylbut-1-en-2-ylbenzene;2-(3-methylbut-1-en-2-yl)pyridine;4-(3-methylbut-1-en-2-yl)pyridine;2-methylheptane;2-methylhexane;2-methyl-3-methylidenepentane;1-methyl-2-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpentane;2-methylpropane;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-3-(propan-2-ylsulfonylmethyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)-3H-pyrrole;2-methylsulfonylpropane.
What is the SMILES notation for 1-chloro-4-(2-methylpropyl)benzene;2,3-dimethylbut-1-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;4-methoxy-2-methyl-1-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;2-methylbutane;3-methylbut-1-en-2-ylbenzene;2-(3-methylbut-1-en-2-yl)pyridine;4-(3-methylbut-1-en-2-yl)pyridine;2-methylheptane;2-methylhexane;2-methyl-3-methylidenepentane;1-methyl-2-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpentane;2-methylpropane;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-3-(propan-2-ylsulfonylmethyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)-3H-pyrrole;2-methylsulfonylpropane?
The canonical SMILES for 1-chloro-4-(2-methylpropyl)benzene;2,3-dimethylbut-1-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;4-methoxy-2-methyl-1-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;2-methylbutane;3-methylbut-1-en-2-ylbenzene;2-(3-methylbut-1-en-2-yl)pyridine;4-(3-methylbut-1-en-2-yl)pyridine;2-methylheptane;2-methylhexane;2-methyl-3-methylidenepentane;1-methyl-2-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpentane;2-methylpropane;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-3-(propan-2-ylsulfonylmethyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)-3H-pyrrole;2-methylsulfonylpropane is C=C(C)C(C)C.C=C(CC)C(C)C.C=C(c1ccccc1)C(C)C.C=C(c1ccccn1)C(C)C.C=C(c1ccncc1)C(C)C.CC(C)C.CC(C)CC1=CC=CC1.CC(C)CC1=CN=CC1.CC(C)Cc1ccc(C#N)cc1.CC(C)Cc1ccc(Cl)cc1.CC(C)Cc1ccc(F)cc1.CC(C)Cc1cccc(F)c1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccncc1.CC(C)S(C)(=O)=O.CCC(C)C.CCCC(C)C.CCCCC(C)C.CCCCCC(C)C.COc1ccc(CC(C)C)c(C)c1.COc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1.Cc1ccc(S(=O)(=O)C(C)C)cc1.Cc1cccc(CS(=O)(=O)C(C)C)c1.Cc1ccccc1CC(C)C.
What is the InChIKey of 1-chloro-4-(2-methylpropyl)benzene;2,3-dimethylbut-1-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;4-methoxy-2-methyl-1-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;2-methylbutane;3-methylbut-1-en-2-ylbenzene;2-(3-methylbut-1-en-2-yl)pyridine;4-(3-methylbut-1-en-2-yl)pyridine;2-methylheptane;2-methylhexane;2-methyl-3-methylidenepentane;1-methyl-2-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpentane;2-methylpropane;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-3-(propan-2-ylsulfonylmethyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)-3H-pyrrole;2-methylsulfonylpropane?
The InChIKey is MQKNEYIGEBGBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O.C11H13N.C11H16O2S.C11H16O.2C11H16.C11H14.C10H13Cl.2C10H13F.2C10H13N.C10H14O2S.C10H14.3C9H13N.C9H14.C8H13N.C8H18.C7H14.C7H16.C6H12.C6H14.C5H12.C4H10O2S.C4H10/c1-9(2)7-11-5-6-12(13-4)8-10(11)3;1-9(2)7-10-3-5-11(8-12)6-4-10;1-9(2)14(12,13)8-11-6-4-5-10(3)7-11;1-9(2)8-10-4-6-11(12-3)7-5-10;1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)8-11-7-5-4-6-10(11)3;1-9(2)10(3)11-7-5-4-6-8-11;2*1-8(2)7-9-3-5-10(11)6-4-9;1-8(2)6-9-4-3-5-10(11)7-9;1-8(2)9(3)10-4-6-11-7-5-10;1-8(2)9(3)10-6-4-5-7-11-10;1-8(2)13(11,12)10-6-4-9(3)5-7-10;1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-8(2)7-9-5-3-4-6-9;1-7(2)5-8-3-4-9-6-8;1-4-5-6-7-8(2)3;1-5-7(4)6(2)3;1-4-5-6-7(2)3;1-5(2)6(3)4;1-4-5-6(2)3;1-4-5(2)3;1-4(2)7(3,5)6;1-4(2)3/h5-6,8-9H,7H2,1-4H3;3-6,9H,7H2,1-2H3;4-7,9H,8H2,1-3H3;4-7,9H,8H2,1-3H3;2*4-7,9H,8H2,1-3H3;4-9H,3H2,1-2H3;2*3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;2*4-8H,3H2,1-2H3;4-8H,1-3H3;3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,8H,6-7H2,1-2H3;4,6-7H,3,5H2,1-2H3;8H,4-7H2,1-3H3;6H,4-5H2,1-3H3;7H,4-6H2,1-3H3;6H,1H2,2-4H3;6H,4-5H2,1-3H3;5H,4H2,1-3H3;4H,1-3H3;4H,1-3H3.
What are the key properties of 1-chloro-4-(2-methylpropyl)benzene;2,3-dimethylbut-1-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;4-methoxy-2-methyl-1-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;2-methylbutane;3-methylbut-1-en-2-ylbenzene;2-(3-methylbut-1-en-2-yl)pyridine;4-(3-methylbut-1-en-2-yl)pyridine;2-methylheptane;2-methylhexane;2-methyl-3-methylidenepentane;1-methyl-2-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpentane;2-methylpropane;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-3-(propan-2-ylsulfonylmethyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)-3H-pyrrole;2-methylsulfonylpropane?
1-chloro-4-(2-methylpropyl)benzene;2,3-dimethylbut-1-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;4-methoxy-2-methyl-1-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;2-methylbutane;3-methylbut-1-en-2-ylbenzene;2-(3-methylbut-1-en-2-yl)pyridine;4-(3-methylbut-1-en-2-yl)pyridine;2-methylheptane;2-methylhexane;2-methyl-3-methylidenepentane;1-methyl-2-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpentane;2-methylpropane;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-3-(propan-2-ylsulfonylmethyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)-3H-pyrrole;2-methylsulfonylpropane has a molecular weight of 3643.31 g/mol, XLogP of 70.69, 55 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2-methylpropyl)benzene;2,3-dimethylbut-1-ene;1-fluoro-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;4-methoxy-2-methyl-1-(2-methylpropyl)benzene;1-methoxy-4-(2-methylpropyl)benzene;2-methylbutane;3-methylbut-1-en-2-ylbenzene;2-(3-methylbut-1-en-2-yl)pyridine;4-(3-methylbut-1-en-2-yl)pyridine;2-methylheptane;2-methylhexane;2-methyl-3-methylidenepentane;1-methyl-2-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;2-methylpentane;2-methylpropane;1-methyl-4-propan-2-ylsulfonylbenzene;1-methyl-3-(propan-2-ylsulfonylmethyl)benzene;2-methylpropylbenzene;4-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)-3H-pyrrole;2-methylsulfonylpropane is sourced from PubChem (CID 159641560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).