cumene;N-[2,6-di(propan-2-yl)phenyl]-1-(2-propan-2-ylphenyl)methanimine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;propan-2-ylcyclohexane;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene

C225H299F14N5O4 — CID 159405308

IUPACcumene;N-[2,6-di(propan-2-yl)phenyl]-1-(2-propan-2-ylphenyl)methanimine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;propan-2-ylcyclohexane;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(C)C1CCCCC1.CC(C)c1c(F)c(F)c(F)c(F)c1F.CC(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccccc1.CC(C)c1ccccc1-c1ccccc1.CC(C)c1ccccc1/C=N/c1c(C(C)C)cccc1C(C)C.CC(C)c1ccccc1CO.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1ccncc1.COc1ccc(C(C)C)cc1.COc1cccc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C
InChIInChI=1S/C22H29N.C15H16.C11H10F6.C10H11F3.3C10H14O.7C10H14.C9H7F5.C9H13N.C9H18.C9H12.3C8H11N.C7H10O/c1-15(2)19-11-8-7-10-18(19)14-23-22-20(16(3)4)12-9-13-21(22)17(5)6;1-12(2)14-10-6-7-11-15(14)13-8-4-3-5-9-13;1-6(2)7-3-8(10(12,13)14)5-9(4-7)11(15,16)17;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-6-4-3-5-9(10)7-11;2*1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-6-4-5-9(3)7-10;3*1-8(2)10-7-5-4-6-9(10)3;1-3(2)4-5(10)7(12)9(14)8(13)6(4)11;1-7(2)9-5-4-8(3)10-6-9;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-3-5-8-7/h7-17H,1-6H3;3-12H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;2*4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;7*4-8H,1-3H3;3H,1-2H3;4-7H,1-3H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3;3-6H,1-2H3/b23-14+;;;;;;;;;;;;;;;;;;;;;
InChIKeyLNWMWIOCAXXARO-JNMNWUNRSA-N
MW3403.87 g/mol
LogP70.80
Rot. Bonds30

About cumene;N-[2,6-di(propan-2-yl)phenyl]-1-(2-propan-2-ylphenyl)methanimine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;propan-2-ylcyclohexane;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene

cumene;N-[2,6-di(propan-2-yl)phenyl]-1-(2-propan-2-ylphenyl)methanimine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;propan-2-ylcyclohexane;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene (PubChem CID 159405308) has the molecular formula C225H299F14N5O4 and a molecular weight of 3403.87 g/mol. Its IUPAC name is cumene;N-[2,6-di(propan-2-yl)phenyl]-1-(2-propan-2-ylphenyl)methanimine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;propan-2-ylcyclohexane;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Namecumene;N-[2,6-di(propan-2-yl)phenyl]-1-(2-propan-2-ylphenyl)methanimine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;propan-2-ylcyclohexane;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
PubChem CID159405308
Molecular FormulaC225H299F14N5O4
Molecular Weight3403.87 g/mol
Exact Mass3401.31
IUPAC Namecumene;N-[2,6-di(propan-2-yl)phenyl]-1-(2-propan-2-ylphenyl)methanimine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;propan-2-ylcyclohexane;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(C)C1CCCCC1.CC(C)c1c(F)c(F)c(F)c(F)c1F.CC(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccccc1.CC(C)c1ccccc1-c1ccccc1.CC(C)c1ccccc1/C=N/c1c(C(C)C)cccc1C(C)C.CC(C)c1ccccc1CO.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1ccncc1.COc1ccc(C(C)C)cc1.COc1cccc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C
InChIInChI=1S/C22H29N.C15H16.C11H10F6.C10H11F3.3C10H14O.7C10H14.C9H7F5.C9H13N.C9H18.C9H12.3C8H11N.C7H10O/c1-15(2)19-11-8-7-10-18(19)14-23-22-20(16(3)4)12-9-13-21(22)17(5)6;1-12(2)14-10-6-7-11-15(14)13-8-4-3-5-9-13;1-6(2)7-3-8(10(12,13)14)5-9(4-7)11(15,16)17;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-6-4-3-5-9(10)7-11;2*1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-6-4-5-9(3)7-10;3*1-8(2)10-7-5-4-6-9(10)3;1-3(2)4-5(10)7(12)9(14)8(13)6(4)11;1-7(2)9-5-4-8(3)10-6-9;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-3-5-8-7/h7-17H,1-6H3;3-12H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;2*4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;7*4-8H,1-3H3;3H,1-2H3;4-7H,1-3H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3;3-6H,1-2H3/b23-14+;;;;;;;;;;;;;;;;;;;;;
InChIKeyLNWMWIOCAXXARO-JNMNWUNRSA-N
XLogP70.80
TPSA115.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds30
Heavy Atoms248
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003403.87
LogP ≤ 570.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze cumene;N-[2,6-di(propan-2-yl)phenyl]-1-(2-propan-2-ylphenyl)methanimine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;propan-2-ylcyclohexane;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene with MolForge

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cumene;N-[2,6-di(propan-2-yl)phenyl]-1-(2-propan-2-ylphenyl)methanimine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;propan-2-ylcyclohexane;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
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1-[4-[5-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-methoxy-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylphenyl]ethanone;1-[4-[5-[2-[[(4R,5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,2-oxazol-3-yl]methyl]-4-(trifluoromethyl)phenyl]-6-methoxy-3-pyridinyl]-3,5-dimethylphenyl]ethanone;1-[4-[5-[2-[[(4R,5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,2-oxazol-3-yl]methyl]-4-(trifluoromethyl)phenyl]-6-methoxy-3-pyridinyl]-3-methylphenyl]ethanone;methane
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bis(iridium);methanol;2-(9H-naphtho[2,1-b][1]benzofuran-9-id-8-yl)pyridine;2-naphtho[2,1-b][1]benzofuran-8-ylpyridine;bis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);trifluoromethanesulfonic acid
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CID 157345472
1,4-Difluoro-2,5-di(propan-2-yl)benzene;1,4-dimethoxy-2,5-di(propan-2-yl)benzene;1,4-dimethyl-2,5-di(propan-2-yl)benzene;3,5-di(propan-2-yl)aniline;2,8-di(propan-2-yl)dibenzofuran;2,6-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)phenol;3,5-di(propan-2-yl)pyridine;1-fluoro-3,5-di(propan-2-yl)benzene;1-methyl-2,5-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)-4-propan-2-ylbenzene
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9,9-Bis(4-methylphenyl)fluorene;1,4-dimethylcyclohexane;2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;2,5-dimethylpyridine;2,6-dimethylpyridine;bis([4-(3-methylbenzoyl)phenyl]-(3-methylphenyl)methanone);1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene
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Frequently Asked Questions

What is the IUPAC name of cumene;N-[2,6-di(propan-2-yl)phenyl]-1-(2-propan-2-ylphenyl)methanimine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;propan-2-ylcyclohexane;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene?
The IUPAC name of cumene;N-[2,6-di(propan-2-yl)phenyl]-1-(2-propan-2-ylphenyl)methanimine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;propan-2-ylcyclohexane;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene (CID 159405308) is cumene;N-[2,6-di(propan-2-yl)phenyl]-1-(2-propan-2-ylphenyl)methanimine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;propan-2-ylcyclohexane;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene.
What is the SMILES notation for cumene;N-[2,6-di(propan-2-yl)phenyl]-1-(2-propan-2-ylphenyl)methanimine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;propan-2-ylcyclohexane;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene?
The canonical SMILES for cumene;N-[2,6-di(propan-2-yl)phenyl]-1-(2-propan-2-ylphenyl)methanimine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;propan-2-ylcyclohexane;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene is CC(C)C1CCCCC1.CC(C)c1c(F)c(F)c(F)c(F)c1F.CC(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.CC(C)c1ccc(C(F)(F)F)cc1.CC(C)c1ccccc1.CC(C)c1ccccc1-c1ccccc1.CC(C)c1ccccc1/C=N/c1c(C(C)C)cccc1C(C)C.CC(C)c1ccccc1CO.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1ccncc1.COc1ccc(C(C)C)cc1.COc1cccc(C(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cn1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.
What is the InChIKey of cumene;N-[2,6-di(propan-2-yl)phenyl]-1-(2-propan-2-ylphenyl)methanimine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;propan-2-ylcyclohexane;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene?
The InChIKey is LNWMWIOCAXXARO-JNMNWUNRSA-N. The full InChI is InChI=1S/C22H29N.C15H16.C11H10F6.C10H11F3.3C10H14O.7C10H14.C9H7F5.C9H13N.C9H18.C9H12.3C8H11N.C7H10O/c1-15(2)19-11-8-7-10-18(19)14-23-22-20(16(3)4)12-9-13-21(22)17(5)6;1-12(2)14-10-6-7-11-15(14)13-8-4-3-5-9-13;1-6(2)7-3-8(10(12,13)14)5-9(4-7)11(15,16)17;1-7(2)8-3-5-9(6-4-8)10(11,12)13;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-6-4-3-5-9(10)7-11;2*1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-6-4-5-9(3)7-10;3*1-8(2)10-7-5-4-6-9(10)3;1-3(2)4-5(10)7(12)9(14)8(13)6(4)11;1-7(2)9-5-4-8(3)10-6-9;2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-4-3-5-8-7/h7-17H,1-6H3;3-12H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;2*4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;7*4-8H,1-3H3;3H,1-2H3;4-7H,1-3H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;3*3-7H,1-2H3;3-6H,1-2H3/b23-14+;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of cumene;N-[2,6-di(propan-2-yl)phenyl]-1-(2-propan-2-ylphenyl)methanimine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;propan-2-ylcyclohexane;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene?
cumene;N-[2,6-di(propan-2-yl)phenyl]-1-(2-propan-2-ylphenyl)methanimine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;propan-2-ylcyclohexane;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene has a molecular weight of 3403.87 g/mol, XLogP of 70.80, 30 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;N-[2,6-di(propan-2-yl)phenyl]-1-(2-propan-2-ylphenyl)methanimine;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;1,2,3,4,5-pentafluoro-6-propan-2-ylbenzene;1-phenyl-2-propan-2-ylbenzene;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;propan-2-ylcyclohexane;2-propan-2-ylfuran;(2-propan-2-ylphenyl)methanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 159405308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).