2-bromo-1-methyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-methylpropylbenzene;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);5-(4-propan-2-ylphenyl)-2H-pyrrole

C243H328BrClF2N12O5 — CID 158163344

IUPAC2-bromo-1-methyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-methylpropylbenzene;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);5-(4-propan-2-ylphenyl)-2H-pyrrole
SMILESC.CC(=O)Oc1cc(C(C)C)ccc1C.CC(C)CCC1=CCc2ccccc21.CC(C)Cc1cccc2ccccc12.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1ccncc1.CC(C)c1ccc(C(=O)c2ccccc2)cc1.CC(C)c1ccc(C2=NCC=C2)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc(N2CCNCC2)cc1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1N1CCNCC1.CC(C)c1cn(-c2ccccc2)nn1.COc1cc(C(C)C)cc(OC)c1C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1Br.Cc1ccc(Cl)c(C(C)C)c1.Cc1ccccc1C(C)C
InChIInChI=1S/C16H16O.2C14H21N.C14H16.C14H18.2C13H20N2.C13H15N.C12H18O2.C12H16O2.C11H13N3.C10H13Br.C10H13Cl.4C10H14.2C9H11F.2C9H13N.CH4/c1-12(2)13-8-10-15(11-9-13)16(17)14-6-4-3-5-7-14;2*1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;1-11(2)10-13-8-5-7-12-6-3-4-9-14(12)13;1-11(2)7-8-13-10-9-12-5-3-4-6-14(12)13;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;1-10(2)11-5-7-12(8-6-11)13-4-3-9-14-13;1-8(2)10-6-11(13-4)9(3)12(7-10)14-5;1-8(2)11-6-5-9(3)12(7-11)14-10(4)13;1-9(2)11-8-14(13-12-11)10-6-4-3-5-7-10;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-6-8(3)4-5-10(9)11;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-9(2)8-10-6-4-3-5-7-10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-8(2)7-9-3-5-10-6-4-9;1-8(2)7-9-5-3-4-6-10-9;/h3-12H,1-2H3;2*6-9,12H,3-5,10-11H2,1-2H3;3-9,11H,10H2,1-2H3;3-6,10-11H,7-9H2,1-2H3;2*3-6,11,14H,7-10H2,1-2H3;3-8,10H,9H2,1-2H3;6-8H,1-5H3;5-8H,1-4H3;3-9H,1-2H3;2*4-7H,1-3H3;3*4-8H,1-3H3;3-7,9H,8H2,1-2H3;2*3-7H,1-2H3;2*3-6,8H,7H2,1-2H3;1H4
InChIKeyFWNSGSGSNLFIEZ-UHFFFAOYSA-N
MW3650.73 g/mol
LogP66.91
Rot. Bonds38

About 2-bromo-1-methyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-methylpropylbenzene;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);5-(4-propan-2-ylphenyl)-2H-pyrrole

2-bromo-1-methyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-methylpropylbenzene;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);5-(4-propan-2-ylphenyl)-2H-pyrrole (PubChem CID 158163344) has the molecular formula C243H328BrClF2N12O5 and a molecular weight of 3650.73 g/mol. Its IUPAC name is 2-bromo-1-methyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-methylpropylbenzene;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);5-(4-propan-2-ylphenyl)-2H-pyrrole.

Molecular Properties

Compound Name2-bromo-1-methyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-methylpropylbenzene;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);5-(4-propan-2-ylphenyl)-2H-pyrrole
PubChem CID158163344
Molecular FormulaC243H328BrClF2N12O5
Molecular Weight3650.73 g/mol
Exact Mass3646.46
IUPAC Name2-bromo-1-methyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-methylpropylbenzene;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);5-(4-propan-2-ylphenyl)-2H-pyrrole
SMILESC.CC(=O)Oc1cc(C(C)C)ccc1C.CC(C)CCC1=CCc2ccccc21.CC(C)Cc1cccc2ccccc12.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1ccncc1.CC(C)c1ccc(C(=O)c2ccccc2)cc1.CC(C)c1ccc(C2=NCC=C2)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc(N2CCNCC2)cc1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1N1CCNCC1.CC(C)c1cn(-c2ccccc2)nn1.COc1cc(C(C)C)cc(OC)c1C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1Br.Cc1ccc(Cl)c(C(C)C)c1.Cc1ccccc1C(C)C
InChIInChI=1S/C16H16O.2C14H21N.C14H16.C14H18.2C13H20N2.C13H15N.C12H18O2.C12H16O2.C11H13N3.C10H13Br.C10H13Cl.4C10H14.2C9H11F.2C9H13N.CH4/c1-12(2)13-8-10-15(11-9-13)16(17)14-6-4-3-5-7-14;2*1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;1-11(2)10-13-8-5-7-12-6-3-4-9-14(12)13;1-11(2)7-8-13-10-9-12-5-3-4-6-14(12)13;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;1-10(2)11-5-7-12(8-6-11)13-4-3-9-14-13;1-8(2)10-6-11(13-4)9(3)12(7-10)14-5;1-8(2)11-6-5-9(3)12(7-11)14-10(4)13;1-9(2)11-8-14(13-12-11)10-6-4-3-5-7-10;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-6-8(3)4-5-10(9)11;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-9(2)8-10-6-4-3-5-7-10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-8(2)7-9-3-5-10-6-4-9;1-8(2)7-9-5-3-4-6-10-9;/h3-12H,1-2H3;2*6-9,12H,3-5,10-11H2,1-2H3;3-9,11H,10H2,1-2H3;3-6,10-11H,7-9H2,1-2H3;2*3-6,11,14H,7-10H2,1-2H3;3-8,10H,9H2,1-2H3;6-8H,1-5H3;5-8H,1-4H3;3-9H,1-2H3;2*4-7H,1-3H3;3*4-8H,1-3H3;3-7,9H,8H2,1-2H3;2*3-7H,1-2H3;2*3-6,8H,7H2,1-2H3;1H4
InChIKeyFWNSGSGSNLFIEZ-UHFFFAOYSA-N
XLogP66.91
TPSA167.70 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds38
Heavy Atoms264
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003650.73
LogP ≤ 566.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2-bromo-1-methyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-methylpropylbenzene;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);5-(4-propan-2-ylphenyl)-2H-pyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-methyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-methylpropylbenzene;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);5-(4-propan-2-ylphenyl)-2H-pyrrole?
The IUPAC name of 2-bromo-1-methyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-methylpropylbenzene;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);5-(4-propan-2-ylphenyl)-2H-pyrrole (CID 158163344) is 2-bromo-1-methyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-methylpropylbenzene;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);5-(4-propan-2-ylphenyl)-2H-pyrrole.
What is the SMILES notation for 2-bromo-1-methyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-methylpropylbenzene;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);5-(4-propan-2-ylphenyl)-2H-pyrrole?
The canonical SMILES for 2-bromo-1-methyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-methylpropylbenzene;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);5-(4-propan-2-ylphenyl)-2H-pyrrole is C.CC(=O)Oc1cc(C(C)C)ccc1C.CC(C)CCC1=CCc2ccccc21.CC(C)Cc1cccc2ccccc12.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1ccncc1.CC(C)c1ccc(C(=O)c2ccccc2)cc1.CC(C)c1ccc(C2=NCC=C2)cc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc(N2CCNCC2)cc1.CC(C)c1cccc(F)c1.CC(C)c1ccccc1N1CCNCC1.CC(C)c1cn(-c2ccccc2)nn1.COc1cc(C(C)C)cc(OC)c1C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1Br.Cc1ccc(Cl)c(C(C)C)c1.Cc1ccccc1C(C)C.
What is the InChIKey of 2-bromo-1-methyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-methylpropylbenzene;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);5-(4-propan-2-ylphenyl)-2H-pyrrole?
The InChIKey is FWNSGSGSNLFIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O.2C14H21N.C14H16.C14H18.2C13H20N2.C13H15N.C12H18O2.C12H16O2.C11H13N3.C10H13Br.C10H13Cl.4C10H14.2C9H11F.2C9H13N.CH4/c1-12(2)13-8-10-15(11-9-13)16(17)14-6-4-3-5-7-14;2*1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;1-11(2)10-13-8-5-7-12-6-3-4-9-14(12)13;1-11(2)7-8-13-10-9-12-5-3-4-6-14(12)13;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;1-10(2)11-5-7-12(8-6-11)13-4-3-9-14-13;1-8(2)10-6-11(13-4)9(3)12(7-10)14-5;1-8(2)11-6-5-9(3)12(7-11)14-10(4)13;1-9(2)11-8-14(13-12-11)10-6-4-3-5-7-10;1-7(2)9-5-4-8(3)10(11)6-9;1-7(2)9-6-8(3)4-5-10(9)11;2*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-7-5-4-6-9(10)3;1-9(2)8-10-6-4-3-5-7-10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-8(2)7-9-3-5-10-6-4-9;1-8(2)7-9-5-3-4-6-10-9;/h3-12H,1-2H3;2*6-9,12H,3-5,10-11H2,1-2H3;3-9,11H,10H2,1-2H3;3-6,10-11H,7-9H2,1-2H3;2*3-6,11,14H,7-10H2,1-2H3;3-8,10H,9H2,1-2H3;6-8H,1-5H3;5-8H,1-4H3;3-9H,1-2H3;2*4-7H,1-3H3;3*4-8H,1-3H3;3-7,9H,8H2,1-2H3;2*3-7H,1-2H3;2*3-6,8H,7H2,1-2H3;1H4.
What are the key properties of 2-bromo-1-methyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-methylpropylbenzene;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);5-(4-propan-2-ylphenyl)-2H-pyrrole?
2-bromo-1-methyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-methylpropylbenzene;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);5-(4-propan-2-ylphenyl)-2H-pyrrole has a molecular weight of 3650.73 g/mol, XLogP of 66.91, 38 rotatable bonds, 2 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;1-chloro-4-methyl-2-propan-2-ylbenzene;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane;3-(3-methylbutyl)-1H-indene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);(2-methyl-5-propan-2-ylphenyl) acetate;2-methylpropylbenzene;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;phenyl-(4-propan-2-ylphenyl)methanone;1-phenyl-4-propan-2-yltriazole;1-(2-propan-2-ylphenyl)piperazine;1-(4-propan-2-ylphenyl)piperazine;bis(1-(4-propan-2-ylphenyl)piperidine);5-(4-propan-2-ylphenyl)-2H-pyrrole is sourced from PubChem (CID 158163344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).