2-bromo-1-methyl-4-propan-2-ylbenzene;tert-butyl 2-propan-2-ylbenzoate;1-chloro-4-methyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-(2-methylpropyl)benzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;methane;methanimine;N-(3-methylbutyl)aniline;2-methylpentane;4-methylpentylbenzene;tetrakis(2-methylpropane);1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-phenyl-4-propan-2-yltriazole;propane;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;1,4-xylene

C239H380BrClF2N12O5 — CID 159549741

IUPAC2-bromo-1-methyl-4-propan-2-ylbenzene;tert-butyl 2-propan-2-ylbenzoate;1-chloro-4-methyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-(2-methylpropyl)benzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;methane;methanimine;N-(3-methylbutyl)aniline;2-methylpentane;4-methylpentylbenzene;tetrakis(2-methylpropane);1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-phenyl-4-propan-2-yltriazole;propane;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;1,4-xylene
SMILESC.C.C.C.C.C.C.C.CC(=O)Oc1cc(C(C)C)ccc1C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)CCCc1ccccc1.CC(C)CCNc1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1ccncc1.CC(C)c1ccc(-c2ccon2)cc1.CC(C)c1ccc(N2CCNCC2)cc1.CC(C)c1ccccc1C(=O)OC(C)(C)C.CC(C)c1ccccc1N1CCNCC1.CC(C)c1cn(-c2ccccc2)nn1.CCC.CCCC(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1Br.Cc1ccc(C)cc1.Cc1ccc(CC(C)C)c(F)c1.Cc1ccc(Cl)c(C(C)C)c1.Cc1cccc(C(C)C)c1.[H]N=C
InChIInChI=1S/C14H20O2.2C13H20N2.C12H13NO.C12H16O2.C12H18.C11H15F.C11H13N3.C11H17N.C10H13Br.C10H13Cl.C10H13F.4C10H14.2C9H13N.C8H10.C6H14.4C4H10.C3H8.CH3N.8CH4/c1-10(2)11-8-6-7-9-12(11)13(15)16-14(3,4)5;1-11(2)12-3-5-13(6-4-12)15-9-7-14-8-10-15;1-11(2)12-5-3-4-6-13(12)15-9-7-14-8-10-15;1-9(2)10-3-5-11(6-4-10)12-7-8-14-13-12;1-8(2)11-6-5-9(3)12(7-11)14-10(4)13;1-11(2)7-6-10-12-8-4-3-5-9-12;1-8(2)6-10-5-4-9(3)7-11(10)12;1-9(2)11-8-14(13-12-11)10-6-4-3-5-7-10;1-10(2)8-9-12-11-6-4-3-5-7-11;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-6-8(3)4-5-10(9)11;1-7(2)10-5-4-9(11)6-8(10)3;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)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)7-9-5-3-4-6-10-9;1-7-3-5-8(2)6-4-7;1-4-5-6(2)3;4*1-4(2)3;1-3-2;1-2;;;;;;;;/h6-10H,1-5H3;2*3-6,11,14H,7-10H2,1-2H3;3-9H,1-2H3;5-8H,1-4H3;3-5,8-9,11H,6-7,10H2,1-2H3;4-5,7-8H,6H2,1-3H3;3-9H,1-2H3;3-7,10,12H,8-9H2,1-2H3;3*4-7H,1-3H3;3*4-8H,1-3H3;3-7,9H,8H2,1-2H3;2*3-6,8H,7H2,1-2H3;3-6H,1-2H3;6H,4-5H2,1-3H3;4*4H,1-3H3;3H2,1-2H3;2H,1H2;8*1H4
InChIKeyMFFVGISNFUGMGN-UHFFFAOYSA-N
MW3655.10 g/mol
LogP73.12
Rot. Bonds36

About 2-bromo-1-methyl-4-propan-2-ylbenzene;tert-butyl 2-propan-2-ylbenzoate;1-chloro-4-methyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-(2-methylpropyl)benzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;methane;methanimine;N-(3-methylbutyl)aniline;2-methylpentane;4-methylpentylbenzene;tetrakis(2-methylpropane);1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-phenyl-4-propan-2-yltriazole;propane;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;1,4-xylene

2-bromo-1-methyl-4-propan-2-ylbenzene;tert-butyl 2-propan-2-ylbenzoate;1-chloro-4-methyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-(2-methylpropyl)benzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;methane;methanimine;N-(3-methylbutyl)aniline;2-methylpentane;4-methylpentylbenzene;tetrakis(2-methylpropane);1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-phenyl-4-propan-2-yltriazole;propane;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;1,4-xylene (PubChem CID 159549741) has the molecular formula C239H380BrClF2N12O5 and a molecular weight of 3655.10 g/mol. Its IUPAC name is 2-bromo-1-methyl-4-propan-2-ylbenzene;tert-butyl 2-propan-2-ylbenzoate;1-chloro-4-methyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-(2-methylpropyl)benzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;methane;methanimine;N-(3-methylbutyl)aniline;2-methylpentane;4-methylpentylbenzene;tetrakis(2-methylpropane);1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-phenyl-4-propan-2-yltriazole;propane;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;1,4-xylene.

Molecular Properties

Compound Name2-bromo-1-methyl-4-propan-2-ylbenzene;tert-butyl 2-propan-2-ylbenzoate;1-chloro-4-methyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-(2-methylpropyl)benzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;methane;methanimine;N-(3-methylbutyl)aniline;2-methylpentane;4-methylpentylbenzene;tetrakis(2-methylpropane);1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-phenyl-4-propan-2-yltriazole;propane;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;1,4-xylene
PubChem CID159549741
Molecular FormulaC239H380BrClF2N12O5
Molecular Weight3655.10 g/mol
Exact Mass3650.87
IUPAC Name2-bromo-1-methyl-4-propan-2-ylbenzene;tert-butyl 2-propan-2-ylbenzoate;1-chloro-4-methyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-(2-methylpropyl)benzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;methane;methanimine;N-(3-methylbutyl)aniline;2-methylpentane;4-methylpentylbenzene;tetrakis(2-methylpropane);1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-phenyl-4-propan-2-yltriazole;propane;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;1,4-xylene
SMILESC.C.C.C.C.C.C.C.CC(=O)Oc1cc(C(C)C)ccc1C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)CCCc1ccccc1.CC(C)CCNc1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1ccncc1.CC(C)c1ccc(-c2ccon2)cc1.CC(C)c1ccc(N2CCNCC2)cc1.CC(C)c1ccccc1C(=O)OC(C)(C)C.CC(C)c1ccccc1N1CCNCC1.CC(C)c1cn(-c2ccccc2)nn1.CCC.CCCC(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1Br.Cc1ccc(C)cc1.Cc1ccc(CC(C)C)c(F)c1.Cc1ccc(Cl)c(C(C)C)c1.Cc1cccc(C(C)C)c1.[H]N=C
InChIInChI=1S/C14H20O2.2C13H20N2.C12H13NO.C12H16O2.C12H18.C11H15F.C11H13N3.C11H17N.C10H13Br.C10H13Cl.C10H13F.4C10H14.2C9H13N.C8H10.C6H14.4C4H10.C3H8.CH3N.8CH4/c1-10(2)11-8-6-7-9-12(11)13(15)16-14(3,4)5;1-11(2)12-3-5-13(6-4-12)15-9-7-14-8-10-15;1-11(2)12-5-3-4-6-13(12)15-9-7-14-8-10-15;1-9(2)10-3-5-11(6-4-10)12-7-8-14-13-12;1-8(2)11-6-5-9(3)12(7-11)14-10(4)13;1-11(2)7-6-10-12-8-4-3-5-9-12;1-8(2)6-10-5-4-9(3)7-11(10)12;1-9(2)11-8-14(13-12-11)10-6-4-3-5-7-10;1-10(2)8-9-12-11-6-4-3-5-7-11;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-6-8(3)4-5-10(9)11;1-7(2)10-5-4-9(11)6-8(10)3;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)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)7-9-5-3-4-6-10-9;1-7-3-5-8(2)6-4-7;1-4-5-6(2)3;4*1-4(2)3;1-3-2;1-2;;;;;;;;/h6-10H,1-5H3;2*3-6,11,14H,7-10H2,1-2H3;3-9H,1-2H3;5-8H,1-4H3;3-5,8-9,11H,6-7,10H2,1-2H3;4-5,7-8H,6H2,1-3H3;3-9H,1-2H3;3-7,10,12H,8-9H2,1-2H3;3*4-7H,1-3H3;3*4-8H,1-3H3;3-7,9H,8H2,1-2H3;2*3-6,8H,7H2,1-2H3;3-6H,1-2H3;6H,4-5H2,1-3H3;4*4H,1-3H3;3H2,1-2H3;2H,1H2;8*1H4
InChIKeyMFFVGISNFUGMGN-UHFFFAOYSA-N
XLogP73.12
TPSA201.54 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds36
Heavy Atoms260
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003655.10
LogP ≤ 573.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 2-bromo-1-methyl-4-propan-2-ylbenzene;tert-butyl 2-propan-2-ylbenzoate;1-chloro-4-methyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-(2-methylpropyl)benzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;methane;methanimine;N-(3-methylbutyl)aniline;2-methylpentane;4-methylpentylbenzene;tetrakis(2-methylpropane);1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-phenyl-4-propan-2-yltriazole;propane;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;1,4-xylene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-methyl-4-propan-2-ylbenzene;tert-butyl 2-propan-2-ylbenzoate;1-chloro-4-methyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-(2-methylpropyl)benzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;methane;methanimine;N-(3-methylbutyl)aniline;2-methylpentane;4-methylpentylbenzene;tetrakis(2-methylpropane);1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-phenyl-4-propan-2-yltriazole;propane;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;1,4-xylene?
The IUPAC name of 2-bromo-1-methyl-4-propan-2-ylbenzene;tert-butyl 2-propan-2-ylbenzoate;1-chloro-4-methyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-(2-methylpropyl)benzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;methane;methanimine;N-(3-methylbutyl)aniline;2-methylpentane;4-methylpentylbenzene;tetrakis(2-methylpropane);1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-phenyl-4-propan-2-yltriazole;propane;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;1,4-xylene (CID 159549741) is 2-bromo-1-methyl-4-propan-2-ylbenzene;tert-butyl 2-propan-2-ylbenzoate;1-chloro-4-methyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-(2-methylpropyl)benzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;methane;methanimine;N-(3-methylbutyl)aniline;2-methylpentane;4-methylpentylbenzene;tetrakis(2-methylpropane);1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-phenyl-4-propan-2-yltriazole;propane;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;1,4-xylene.
What is the SMILES notation for 2-bromo-1-methyl-4-propan-2-ylbenzene;tert-butyl 2-propan-2-ylbenzoate;1-chloro-4-methyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-(2-methylpropyl)benzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;methane;methanimine;N-(3-methylbutyl)aniline;2-methylpentane;4-methylpentylbenzene;tetrakis(2-methylpropane);1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-phenyl-4-propan-2-yltriazole;propane;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;1,4-xylene?
The canonical SMILES for 2-bromo-1-methyl-4-propan-2-ylbenzene;tert-butyl 2-propan-2-ylbenzoate;1-chloro-4-methyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-(2-methylpropyl)benzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;methane;methanimine;N-(3-methylbutyl)aniline;2-methylpentane;4-methylpentylbenzene;tetrakis(2-methylpropane);1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-phenyl-4-propan-2-yltriazole;propane;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;1,4-xylene is C.C.C.C.C.C.C.C.CC(=O)Oc1cc(C(C)C)ccc1C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)CCCc1ccccc1.CC(C)CCNc1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1ccncc1.CC(C)c1ccc(-c2ccon2)cc1.CC(C)c1ccc(N2CCNCC2)cc1.CC(C)c1ccccc1C(=O)OC(C)(C)C.CC(C)c1ccccc1N1CCNCC1.CC(C)c1cn(-c2ccccc2)nn1.CCC.CCCC(C)C.Cc1cc(F)ccc1C(C)C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1Br.Cc1ccc(C)cc1.Cc1ccc(CC(C)C)c(F)c1.Cc1ccc(Cl)c(C(C)C)c1.Cc1cccc(C(C)C)c1.[H]N=C.
What is the InChIKey of 2-bromo-1-methyl-4-propan-2-ylbenzene;tert-butyl 2-propan-2-ylbenzoate;1-chloro-4-methyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-(2-methylpropyl)benzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;methane;methanimine;N-(3-methylbutyl)aniline;2-methylpentane;4-methylpentylbenzene;tetrakis(2-methylpropane);1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-phenyl-4-propan-2-yltriazole;propane;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;1,4-xylene?
The InChIKey is MFFVGISNFUGMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2.2C13H20N2.C12H13NO.C12H16O2.C12H18.C11H15F.C11H13N3.C11H17N.C10H13Br.C10H13Cl.C10H13F.4C10H14.2C9H13N.C8H10.C6H14.4C4H10.C3H8.CH3N.8CH4/c1-10(2)11-8-6-7-9-12(11)13(15)16-14(3,4)5;1-11(2)12-3-5-13(6-4-12)15-9-7-14-8-10-15;1-11(2)12-5-3-4-6-13(12)15-9-7-14-8-10-15;1-9(2)10-3-5-11(6-4-10)12-7-8-14-13-12;1-8(2)11-6-5-9(3)12(7-11)14-10(4)13;1-11(2)7-6-10-12-8-4-3-5-9-12;1-8(2)6-10-5-4-9(3)7-11(10)12;1-9(2)11-8-14(13-12-11)10-6-4-3-5-7-10;1-10(2)8-9-12-11-6-4-3-5-7-11;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-6-8(3)4-5-10(9)11;1-7(2)10-5-4-9(11)6-8(10)3;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)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)7-9-5-3-4-6-10-9;1-7-3-5-8(2)6-4-7;1-4-5-6(2)3;4*1-4(2)3;1-3-2;1-2;;;;;;;;/h6-10H,1-5H3;2*3-6,11,14H,7-10H2,1-2H3;3-9H,1-2H3;5-8H,1-4H3;3-5,8-9,11H,6-7,10H2,1-2H3;4-5,7-8H,6H2,1-3H3;3-9H,1-2H3;3-7,10,12H,8-9H2,1-2H3;3*4-7H,1-3H3;3*4-8H,1-3H3;3-7,9H,8H2,1-2H3;2*3-6,8H,7H2,1-2H3;3-6H,1-2H3;6H,4-5H2,1-3H3;4*4H,1-3H3;3H2,1-2H3;2H,1H2;8*1H4.
What are the key properties of 2-bromo-1-methyl-4-propan-2-ylbenzene;tert-butyl 2-propan-2-ylbenzoate;1-chloro-4-methyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-(2-methylpropyl)benzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;methane;methanimine;N-(3-methylbutyl)aniline;2-methylpentane;4-methylpentylbenzene;tetrakis(2-methylpropane);1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-phenyl-4-propan-2-yltriazole;propane;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;1,4-xylene?
2-bromo-1-methyl-4-propan-2-ylbenzene;tert-butyl 2-propan-2-ylbenzoate;1-chloro-4-methyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-(2-methylpropyl)benzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;methane;methanimine;N-(3-methylbutyl)aniline;2-methylpentane;4-methylpentylbenzene;tetrakis(2-methylpropane);1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-phenyl-4-propan-2-yltriazole;propane;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;1,4-xylene has a molecular weight of 3655.10 g/mol, XLogP of 73.12, 36 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-methyl-4-propan-2-ylbenzene;tert-butyl 2-propan-2-ylbenzoate;1-chloro-4-methyl-2-propan-2-ylbenzene;2-fluoro-4-methyl-1-(2-methylpropyl)benzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;methane;methanimine;N-(3-methylbutyl)aniline;2-methylpentane;4-methylpentylbenzene;tetrakis(2-methylpropane);1-methyl-3-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-methylpropylbenzene;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-phenyl-4-propan-2-yltriazole;propane;3-(4-propan-2-ylphenyl)-1,2-oxazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;1,4-xylene is sourced from PubChem (CID 159549741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).