1-chloro-2-methoxy-4-(2-methylpropyl)benzene;1-ethyl-3-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)aniline;bis(1-methyl-3-(2-methylpropyl)benzene);bis(1-methyl-4-(2-methylpropyl)benzene);1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methyl-4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)aniline;3-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;5-(2-methylpropyl)-1H-imidazole;1-(2-methylpropyl)-3-methylsulfonylbenzene;1-[3-(2-methylpropyl)phenyl]ethanone;5-(2-methylpropyl)-1H-pyrazole;bis(4-(2-methylpropyl)-2H-pyrrole);5-(2-methylpropyl)-3H-pyrrole;2-(2-methylpropyl)-1,3-thiazole

C209H315ClFN17O5S3 — CID 162160479

IUPAC1-chloro-2-methoxy-4-(2-methylpropyl)benzene;1-ethyl-3-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)aniline;bis(1-methyl-3-(2-methylpropyl)benzene);bis(1-methyl-4-(2-methylpropyl)benzene);1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methyl-4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)aniline;3-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;5-(2-methylpropyl)-1H-imidazole;1-(2-methylpropyl)-3-methylsulfonylbenzene;1-[3-(2-methylpropyl)phenyl]ethanone;5-(2-methylpropyl)-1H-pyrazole;bis(4-(2-methylpropyl)-2H-pyrrole);5-(2-methylpropyl)-3H-pyrrole;2-(2-methylpropyl)-1,3-thiazole
SMILESCC(=O)c1cccc(CC(C)C)c1.CC(C)CC1=CC=CC1.CC(C)CC1=CCC=N1.CC(C)CC1=CCN=C1.CC(C)CC1=CCN=C1.CC(C)Cc1ccc(=O)n(C)c1.CC(C)Cc1ccc(F)c(N)c1.CC(C)Cc1cccc(C#N)c1.CC(C)Cc1cccc(N)c1.CC(C)Cc1cccc(S(C)(=O)=O)c1.CC(C)Cc1ccn(C)n1.CC(C)Cc1ccn[nH]1.CC(C)Cc1cnc[nH]1.CC(C)Cc1cnn(C)c1.CC(C)Cc1nccs1.CCc1cccc(CC(C)C)c1.COc1cc(CC(C)C)ccc1Cl.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1.Cc1cccc(CC(C)C)c1.Cc1cccc(CC(C)C)c1.Cc1nc(CC(C)C)cs1
InChIInChI=1S/C12H16O.C12H18.C11H15ClO.C11H13N.C11H16O2S.4C11H16.C10H14FN.C10H15NO.C10H15N.C9H14.2C8H14N2.C8H13NS.3C8H13N.2C7H12N2.C7H11NS/c1-9(2)7-11-5-4-6-12(8-11)10(3)13;1-4-11-6-5-7-12(9-11)8-10(2)3;1-8(2)6-9-4-5-10(12)11(7-9)13-3;1-9(2)6-10-4-3-5-11(7-10)8-12;1-9(2)7-10-5-4-6-11(8-10)14(3,12)13;2*1-9(2)8-11-6-4-10(3)5-7-11;2*1-9(2)7-11-6-4-5-10(3)8-11;1-7(2)5-8-3-4-9(11)10(12)6-8;1-8(2)6-9-4-5-10(12)11(3)7-9;1-8(2)6-9-4-3-5-10(11)7-9;1-8(2)7-9-5-3-4-6-9;1-7(2)4-8-5-9-10(3)6-8;1-7(2)6-8-4-5-10(3)9-8;1-6(2)4-8-5-10-7(3)9-8;2*1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-6(2)3-7-4-8-5-9-7;1-6(2)5-7-3-4-8-9-7;1-6(2)5-7-8-3-4-9-7/h4-6,8-9H,7H2,1-3H3;5-7,9-10H,4,8H2,1-3H3;4-5,7-8H,6H2,1-3H3;3-5,7,9H,6H2,1-2H3;4-6,8-9H,7H2,1-3H3;2*4-7,9H,8H2,1-3H3;2*4-6,8-9H,7H2,1-3H3;3-4,6-7H,5,12H2,1-2H3;4-5,7-8H,6H2,1-3H3;3-5,7-8H,6,11H2,1-2H3;3-5,8H,6-7H2,1-2H3;5-7H,4H2,1-3H3;4-5,7H,6H2,1-3H3;5-6H,4H2,1-3H3;2*3,6-7H,4-5H2,1-2H3;4-5,7H,3,6H2,1-2H3;4-6H,3H2,1-2H3,(H,8,9);3-4,6H,5H2,1-2H3,(H,8,9);3-4,6H,5H2,1-2H3
InChIKeyZMKGSRKXQOARAI-UHFFFAOYSA-N
MW3296.58 g/mol
LogP55.40
Rot. Bonds48

About 1-chloro-2-methoxy-4-(2-methylpropyl)benzene;1-ethyl-3-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)aniline;bis(1-methyl-3-(2-methylpropyl)benzene);bis(1-methyl-4-(2-methylpropyl)benzene);1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methyl-4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)aniline;3-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;5-(2-methylpropyl)-1H-imidazole;1-(2-methylpropyl)-3-methylsulfonylbenzene;1-[3-(2-methylpropyl)phenyl]ethanone;5-(2-methylpropyl)-1H-pyrazole;bis(4-(2-methylpropyl)-2H-pyrrole);5-(2-methylpropyl)-3H-pyrrole;2-(2-methylpropyl)-1,3-thiazole

1-chloro-2-methoxy-4-(2-methylpropyl)benzene;1-ethyl-3-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)aniline;bis(1-methyl-3-(2-methylpropyl)benzene);bis(1-methyl-4-(2-methylpropyl)benzene);1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methyl-4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)aniline;3-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;5-(2-methylpropyl)-1H-imidazole;1-(2-methylpropyl)-3-methylsulfonylbenzene;1-[3-(2-methylpropyl)phenyl]ethanone;5-(2-methylpropyl)-1H-pyrazole;bis(4-(2-methylpropyl)-2H-pyrrole);5-(2-methylpropyl)-3H-pyrrole;2-(2-methylpropyl)-1,3-thiazole (PubChem CID 162160479) has the molecular formula C209H315ClFN17O5S3 and a molecular weight of 3296.58 g/mol. Its IUPAC name is 1-chloro-2-methoxy-4-(2-methylpropyl)benzene;1-ethyl-3-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)aniline;bis(1-methyl-3-(2-methylpropyl)benzene);bis(1-methyl-4-(2-methylpropyl)benzene);1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methyl-4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)aniline;3-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;5-(2-methylpropyl)-1H-imidazole;1-(2-methylpropyl)-3-methylsulfonylbenzene;1-[3-(2-methylpropyl)phenyl]ethanone;5-(2-methylpropyl)-1H-pyrazole;bis(4-(2-methylpropyl)-2H-pyrrole);5-(2-methylpropyl)-3H-pyrrole;2-(2-methylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name1-chloro-2-methoxy-4-(2-methylpropyl)benzene;1-ethyl-3-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)aniline;bis(1-methyl-3-(2-methylpropyl)benzene);bis(1-methyl-4-(2-methylpropyl)benzene);1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methyl-4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)aniline;3-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;5-(2-methylpropyl)-1H-imidazole;1-(2-methylpropyl)-3-methylsulfonylbenzene;1-[3-(2-methylpropyl)phenyl]ethanone;5-(2-methylpropyl)-1H-pyrazole;bis(4-(2-methylpropyl)-2H-pyrrole);5-(2-methylpropyl)-3H-pyrrole;2-(2-methylpropyl)-1,3-thiazole
PubChem CID162160479
Molecular FormulaC209H315ClFN17O5S3
Molecular Weight3296.58 g/mol
Exact Mass3293.38
IUPAC Name1-chloro-2-methoxy-4-(2-methylpropyl)benzene;1-ethyl-3-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)aniline;bis(1-methyl-3-(2-methylpropyl)benzene);bis(1-methyl-4-(2-methylpropyl)benzene);1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methyl-4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)aniline;3-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;5-(2-methylpropyl)-1H-imidazole;1-(2-methylpropyl)-3-methylsulfonylbenzene;1-[3-(2-methylpropyl)phenyl]ethanone;5-(2-methylpropyl)-1H-pyrazole;bis(4-(2-methylpropyl)-2H-pyrrole);5-(2-methylpropyl)-3H-pyrrole;2-(2-methylpropyl)-1,3-thiazole
SMILESCC(=O)c1cccc(CC(C)C)c1.CC(C)CC1=CC=CC1.CC(C)CC1=CCC=N1.CC(C)CC1=CCN=C1.CC(C)CC1=CCN=C1.CC(C)Cc1ccc(=O)n(C)c1.CC(C)Cc1ccc(F)c(N)c1.CC(C)Cc1cccc(C#N)c1.CC(C)Cc1cccc(N)c1.CC(C)Cc1cccc(S(C)(=O)=O)c1.CC(C)Cc1ccn(C)n1.CC(C)Cc1ccn[nH]1.CC(C)Cc1cnc[nH]1.CC(C)Cc1cnn(C)c1.CC(C)Cc1nccs1.CCc1cccc(CC(C)C)c1.COc1cc(CC(C)C)ccc1Cl.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1.Cc1cccc(CC(C)C)c1.Cc1cccc(CC(C)C)c1.Cc1nc(CC(C)C)cs1
InChIInChI=1S/C12H16O.C12H18.C11H15ClO.C11H13N.C11H16O2S.4C11H16.C10H14FN.C10H15NO.C10H15N.C9H14.2C8H14N2.C8H13NS.3C8H13N.2C7H12N2.C7H11NS/c1-9(2)7-11-5-4-6-12(8-11)10(3)13;1-4-11-6-5-7-12(9-11)8-10(2)3;1-8(2)6-9-4-5-10(12)11(7-9)13-3;1-9(2)6-10-4-3-5-11(7-10)8-12;1-9(2)7-10-5-4-6-11(8-10)14(3,12)13;2*1-9(2)8-11-6-4-10(3)5-7-11;2*1-9(2)7-11-6-4-5-10(3)8-11;1-7(2)5-8-3-4-9(11)10(12)6-8;1-8(2)6-9-4-5-10(12)11(3)7-9;1-8(2)6-9-4-3-5-10(11)7-9;1-8(2)7-9-5-3-4-6-9;1-7(2)4-8-5-9-10(3)6-8;1-7(2)6-8-4-5-10(3)9-8;1-6(2)4-8-5-10-7(3)9-8;2*1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-6(2)3-7-4-8-5-9-7;1-6(2)5-7-3-4-8-9-7;1-6(2)5-7-8-3-4-9-7/h4-6,8-9H,7H2,1-3H3;5-7,9-10H,4,8H2,1-3H3;4-5,7-8H,6H2,1-3H3;3-5,7,9H,6H2,1-2H3;4-6,8-9H,7H2,1-3H3;2*4-7,9H,8H2,1-3H3;2*4-6,8-9H,7H2,1-3H3;3-4,6-7H,5,12H2,1-2H3;4-5,7-8H,6H2,1-3H3;3-5,7-8H,6,11H2,1-2H3;3-5,8H,6-7H2,1-2H3;5-7H,4H2,1-3H3;4-5,7H,6H2,1-3H3;5-6H,4H2,1-3H3;2*3,6-7H,4-5H2,1-2H3;4-5,7H,3,6H2,1-2H3;4-6H,3H2,1-2H3,(H,8,9);3-4,6H,5H2,1-2H3,(H,8,9);3-4,6H,5H2,1-2H3
InChIKeyZMKGSRKXQOARAI-UHFFFAOYSA-N
XLogP55.40
TPSA314.13 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds48
Heavy Atoms236
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003296.58
LogP ≤ 555.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 1-chloro-2-methoxy-4-(2-methylpropyl)benzene;1-ethyl-3-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)aniline;bis(1-methyl-3-(2-methylpropyl)benzene);bis(1-methyl-4-(2-methylpropyl)benzene);1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methyl-4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)aniline;3-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;5-(2-methylpropyl)-1H-imidazole;1-(2-methylpropyl)-3-methylsulfonylbenzene;1-[3-(2-methylpropyl)phenyl]ethanone;5-(2-methylpropyl)-1H-pyrazole;bis(4-(2-methylpropyl)-2H-pyrrole);5-(2-methylpropyl)-3H-pyrrole;2-(2-methylpropyl)-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methoxy-4-(2-methylpropyl)benzene;1-ethyl-3-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)aniline;bis(1-methyl-3-(2-methylpropyl)benzene);bis(1-methyl-4-(2-methylpropyl)benzene);1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methyl-4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)aniline;3-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;5-(2-methylpropyl)-1H-imidazole;1-(2-methylpropyl)-3-methylsulfonylbenzene;1-[3-(2-methylpropyl)phenyl]ethanone;5-(2-methylpropyl)-1H-pyrazole;bis(4-(2-methylpropyl)-2H-pyrrole);5-(2-methylpropyl)-3H-pyrrole;2-(2-methylpropyl)-1,3-thiazole?
The IUPAC name of 1-chloro-2-methoxy-4-(2-methylpropyl)benzene;1-ethyl-3-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)aniline;bis(1-methyl-3-(2-methylpropyl)benzene);bis(1-methyl-4-(2-methylpropyl)benzene);1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methyl-4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)aniline;3-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;5-(2-methylpropyl)-1H-imidazole;1-(2-methylpropyl)-3-methylsulfonylbenzene;1-[3-(2-methylpropyl)phenyl]ethanone;5-(2-methylpropyl)-1H-pyrazole;bis(4-(2-methylpropyl)-2H-pyrrole);5-(2-methylpropyl)-3H-pyrrole;2-(2-methylpropyl)-1,3-thiazole (CID 162160479) is 1-chloro-2-methoxy-4-(2-methylpropyl)benzene;1-ethyl-3-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)aniline;bis(1-methyl-3-(2-methylpropyl)benzene);bis(1-methyl-4-(2-methylpropyl)benzene);1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methyl-4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)aniline;3-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;5-(2-methylpropyl)-1H-imidazole;1-(2-methylpropyl)-3-methylsulfonylbenzene;1-[3-(2-methylpropyl)phenyl]ethanone;5-(2-methylpropyl)-1H-pyrazole;bis(4-(2-methylpropyl)-2H-pyrrole);5-(2-methylpropyl)-3H-pyrrole;2-(2-methylpropyl)-1,3-thiazole.
What is the SMILES notation for 1-chloro-2-methoxy-4-(2-methylpropyl)benzene;1-ethyl-3-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)aniline;bis(1-methyl-3-(2-methylpropyl)benzene);bis(1-methyl-4-(2-methylpropyl)benzene);1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methyl-4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)aniline;3-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;5-(2-methylpropyl)-1H-imidazole;1-(2-methylpropyl)-3-methylsulfonylbenzene;1-[3-(2-methylpropyl)phenyl]ethanone;5-(2-methylpropyl)-1H-pyrazole;bis(4-(2-methylpropyl)-2H-pyrrole);5-(2-methylpropyl)-3H-pyrrole;2-(2-methylpropyl)-1,3-thiazole?
The canonical SMILES for 1-chloro-2-methoxy-4-(2-methylpropyl)benzene;1-ethyl-3-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)aniline;bis(1-methyl-3-(2-methylpropyl)benzene);bis(1-methyl-4-(2-methylpropyl)benzene);1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methyl-4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)aniline;3-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;5-(2-methylpropyl)-1H-imidazole;1-(2-methylpropyl)-3-methylsulfonylbenzene;1-[3-(2-methylpropyl)phenyl]ethanone;5-(2-methylpropyl)-1H-pyrazole;bis(4-(2-methylpropyl)-2H-pyrrole);5-(2-methylpropyl)-3H-pyrrole;2-(2-methylpropyl)-1,3-thiazole is CC(=O)c1cccc(CC(C)C)c1.CC(C)CC1=CC=CC1.CC(C)CC1=CCC=N1.CC(C)CC1=CCN=C1.CC(C)CC1=CCN=C1.CC(C)Cc1ccc(=O)n(C)c1.CC(C)Cc1ccc(F)c(N)c1.CC(C)Cc1cccc(C#N)c1.CC(C)Cc1cccc(N)c1.CC(C)Cc1cccc(S(C)(=O)=O)c1.CC(C)Cc1ccn(C)n1.CC(C)Cc1ccn[nH]1.CC(C)Cc1cnc[nH]1.CC(C)Cc1cnn(C)c1.CC(C)Cc1nccs1.CCc1cccc(CC(C)C)c1.COc1cc(CC(C)C)ccc1Cl.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1.Cc1cccc(CC(C)C)c1.Cc1cccc(CC(C)C)c1.Cc1nc(CC(C)C)cs1.
What is the InChIKey of 1-chloro-2-methoxy-4-(2-methylpropyl)benzene;1-ethyl-3-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)aniline;bis(1-methyl-3-(2-methylpropyl)benzene);bis(1-methyl-4-(2-methylpropyl)benzene);1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methyl-4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)aniline;3-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;5-(2-methylpropyl)-1H-imidazole;1-(2-methylpropyl)-3-methylsulfonylbenzene;1-[3-(2-methylpropyl)phenyl]ethanone;5-(2-methylpropyl)-1H-pyrazole;bis(4-(2-methylpropyl)-2H-pyrrole);5-(2-methylpropyl)-3H-pyrrole;2-(2-methylpropyl)-1,3-thiazole?
The InChIKey is ZMKGSRKXQOARAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O.C12H18.C11H15ClO.C11H13N.C11H16O2S.4C11H16.C10H14FN.C10H15NO.C10H15N.C9H14.2C8H14N2.C8H13NS.3C8H13N.2C7H12N2.C7H11NS/c1-9(2)7-11-5-4-6-12(8-11)10(3)13;1-4-11-6-5-7-12(9-11)8-10(2)3;1-8(2)6-9-4-5-10(12)11(7-9)13-3;1-9(2)6-10-4-3-5-11(7-10)8-12;1-9(2)7-10-5-4-6-11(8-10)14(3,12)13;2*1-9(2)8-11-6-4-10(3)5-7-11;2*1-9(2)7-11-6-4-5-10(3)8-11;1-7(2)5-8-3-4-9(11)10(12)6-8;1-8(2)6-9-4-5-10(12)11(3)7-9;1-8(2)6-9-4-3-5-10(11)7-9;1-8(2)7-9-5-3-4-6-9;1-7(2)4-8-5-9-10(3)6-8;1-7(2)6-8-4-5-10(3)9-8;1-6(2)4-8-5-10-7(3)9-8;2*1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-6(2)3-7-4-8-5-9-7;1-6(2)5-7-3-4-8-9-7;1-6(2)5-7-8-3-4-9-7/h4-6,8-9H,7H2,1-3H3;5-7,9-10H,4,8H2,1-3H3;4-5,7-8H,6H2,1-3H3;3-5,7,9H,6H2,1-2H3;4-6,8-9H,7H2,1-3H3;2*4-7,9H,8H2,1-3H3;2*4-6,8-9H,7H2,1-3H3;3-4,6-7H,5,12H2,1-2H3;4-5,7-8H,6H2,1-3H3;3-5,7-8H,6,11H2,1-2H3;3-5,8H,6-7H2,1-2H3;5-7H,4H2,1-3H3;4-5,7H,6H2,1-3H3;5-6H,4H2,1-3H3;2*3,6-7H,4-5H2,1-2H3;4-5,7H,3,6H2,1-2H3;4-6H,3H2,1-2H3,(H,8,9);3-4,6H,5H2,1-2H3,(H,8,9);3-4,6H,5H2,1-2H3.
What are the key properties of 1-chloro-2-methoxy-4-(2-methylpropyl)benzene;1-ethyl-3-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)aniline;bis(1-methyl-3-(2-methylpropyl)benzene);bis(1-methyl-4-(2-methylpropyl)benzene);1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methyl-4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)aniline;3-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;5-(2-methylpropyl)-1H-imidazole;1-(2-methylpropyl)-3-methylsulfonylbenzene;1-[3-(2-methylpropyl)phenyl]ethanone;5-(2-methylpropyl)-1H-pyrazole;bis(4-(2-methylpropyl)-2H-pyrrole);5-(2-methylpropyl)-3H-pyrrole;2-(2-methylpropyl)-1,3-thiazole?
1-chloro-2-methoxy-4-(2-methylpropyl)benzene;1-ethyl-3-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)aniline;bis(1-methyl-3-(2-methylpropyl)benzene);bis(1-methyl-4-(2-methylpropyl)benzene);1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methyl-4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)aniline;3-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;5-(2-methylpropyl)-1H-imidazole;1-(2-methylpropyl)-3-methylsulfonylbenzene;1-[3-(2-methylpropyl)phenyl]ethanone;5-(2-methylpropyl)-1H-pyrazole;bis(4-(2-methylpropyl)-2H-pyrrole);5-(2-methylpropyl)-3H-pyrrole;2-(2-methylpropyl)-1,3-thiazole has a molecular weight of 3296.58 g/mol, XLogP of 55.40, 48 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methoxy-4-(2-methylpropyl)benzene;1-ethyl-3-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)aniline;bis(1-methyl-3-(2-methylpropyl)benzene);bis(1-methyl-4-(2-methylpropyl)benzene);1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-4-(2-methylpropyl)pyrazole;1-methyl-5-(2-methylpropyl)pyridin-2-one;2-methyl-4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)aniline;3-(2-methylpropyl)benzonitrile;1-(2-methylpropyl)cyclopenta-1,3-diene;5-(2-methylpropyl)-1H-imidazole;1-(2-methylpropyl)-3-methylsulfonylbenzene;1-[3-(2-methylpropyl)phenyl]ethanone;5-(2-methylpropyl)-1H-pyrazole;bis(4-(2-methylpropyl)-2H-pyrrole);5-(2-methylpropyl)-3H-pyrrole;2-(2-methylpropyl)-1,3-thiazole is sourced from PubChem (CID 162160479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).