cumene;N-[2,6-di(propan-2-yl)phenyl]-1-(2-propan-2-ylphenyl)methanimine;1-methoxy-3-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;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;1,2,4,5-tetrafluoro-3-methyl-6-propan-2-ylbenzene

C227H306F10N4O3 — CID 160659733

IUPACcumene;N-[2,6-di(propan-2-yl)phenyl]-1-(2-propan-2-ylphenyl)methanimine;1-methoxy-3-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;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;1,2,4,5-tetrafluoro-3-methyl-6-propan-2-ylbenzene
SMILESCC(C)C1CCCCC1.CC(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.CC(C)c1ccccc1.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.COc1cccc(C(C)C)c1.Cc1c(F)c(F)c(C(C)C)c(F)c1F.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.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.C10H10F4.2C10H14O.9C10H14.C9H13N.C9H18.2C9H12.2C8H11N.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;1-4(2)6-9(13)7(11)5(3)8(12)10(6)14;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-6-4-3-5-9(10)7-11;4*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;1-7(2)9-5-4-8(3)10-6-9;3*1-8(2)9-6-4-3-5-7-9;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;4H,1-3H3;4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;9*4-8H,1-3H3;4-7H,1-3H3;8-9H,3-7H2,1-2H3;2*3-8H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3/b23-14+;;;;;;;;;;;;;;;;;;;;;
InChIKeyRLNBEPPMKXLIFP-JNMNWUNRSA-N
MW3328.95 g/mol
LogP71.16
Rot. Bonds29

About cumene;N-[2,6-di(propan-2-yl)phenyl]-1-(2-propan-2-ylphenyl)methanimine;1-methoxy-3-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;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;1,2,4,5-tetrafluoro-3-methyl-6-propan-2-ylbenzene

cumene;N-[2,6-di(propan-2-yl)phenyl]-1-(2-propan-2-ylphenyl)methanimine;1-methoxy-3-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;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;1,2,4,5-tetrafluoro-3-methyl-6-propan-2-ylbenzene (PubChem CID 160659733) has the molecular formula C227H306F10N4O3 and a molecular weight of 3328.95 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;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;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;1,2,4,5-tetrafluoro-3-methyl-6-propan-2-ylbenzene.

Molecular Properties

Compound Namecumene;N-[2,6-di(propan-2-yl)phenyl]-1-(2-propan-2-ylphenyl)methanimine;1-methoxy-3-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;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;1,2,4,5-tetrafluoro-3-methyl-6-propan-2-ylbenzene
PubChem CID160659733
Molecular FormulaC227H306F10N4O3
Molecular Weight3328.95 g/mol
Exact Mass3326.38
IUPAC Namecumene;N-[2,6-di(propan-2-yl)phenyl]-1-(2-propan-2-ylphenyl)methanimine;1-methoxy-3-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;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;1,2,4,5-tetrafluoro-3-methyl-6-propan-2-ylbenzene
SMILESCC(C)C1CCCCC1.CC(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.CC(C)c1ccccc1.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.COc1cccc(C(C)C)c1.Cc1c(F)c(F)c(C(C)C)c(F)c1F.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.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.C10H10F4.2C10H14O.9C10H14.C9H13N.C9H18.2C9H12.2C8H11N.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;1-4(2)6-9(13)7(11)5(3)8(12)10(6)14;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-6-4-3-5-9(10)7-11;4*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;1-7(2)9-5-4-8(3)10-6-9;3*1-8(2)9-6-4-3-5-7-9;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;4H,1-3H3;4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;9*4-8H,1-3H3;4-7H,1-3H3;8-9H,3-7H2,1-2H3;2*3-8H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3/b23-14+;;;;;;;;;;;;;;;;;;;;;
InChIKeyRLNBEPPMKXLIFP-JNMNWUNRSA-N
XLogP71.16
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds29
Heavy Atoms244
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003328.95
LogP ≤ 571.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', '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;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;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;1,2,4,5-tetrafluoro-3-methyl-6-propan-2-ylbenzene with MolForge

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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;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;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;1,2,4,5-tetrafluoro-3-methyl-6-propan-2-ylbenzene?
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;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;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;1,2,4,5-tetrafluoro-3-methyl-6-propan-2-ylbenzene (CID 160659733) is cumene;N-[2,6-di(propan-2-yl)phenyl]-1-(2-propan-2-ylphenyl)methanimine;1-methoxy-3-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;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;1,2,4,5-tetrafluoro-3-methyl-6-propan-2-ylbenzene.
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;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;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;1,2,4,5-tetrafluoro-3-methyl-6-propan-2-ylbenzene?
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;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;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;1,2,4,5-tetrafluoro-3-methyl-6-propan-2-ylbenzene is CC(C)C1CCCCC1.CC(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.CC(C)c1ccccc1.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.COc1cccc(C(C)C)c1.Cc1c(F)c(F)c(C(C)C)c(F)c1F.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.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;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;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;1,2,4,5-tetrafluoro-3-methyl-6-propan-2-ylbenzene?
The InChIKey is RLNBEPPMKXLIFP-JNMNWUNRSA-N. The full InChI is InChI=1S/C22H29N.C15H16.C11H10F6.C10H10F4.2C10H14O.9C10H14.C9H13N.C9H18.2C9H12.2C8H11N.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;1-4(2)6-9(13)7(11)5(3)8(12)10(6)14;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)10-6-4-3-5-9(10)7-11;4*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;1-7(2)9-5-4-8(3)10-6-9;3*1-8(2)9-6-4-3-5-7-9;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;4H,1-3H3;4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;9*4-8H,1-3H3;4-7H,1-3H3;8-9H,3-7H2,1-2H3;2*3-8H,1-2H3;2*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;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;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;1,2,4,5-tetrafluoro-3-methyl-6-propan-2-ylbenzene?
cumene;N-[2,6-di(propan-2-yl)phenyl]-1-(2-propan-2-ylphenyl)methanimine;1-methoxy-3-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;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;1,2,4,5-tetrafluoro-3-methyl-6-propan-2-ylbenzene has a molecular weight of 3328.95 g/mol, XLogP of 71.16, 29 rotatable bonds, 1 hydrogen bond donors, and 7 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;tris(1-methyl-2-propan-2-ylbenzene);bis(1-methyl-3-propan-2-ylbenzene);tetrakis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;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;1,2,4,5-tetrafluoro-3-methyl-6-propan-2-ylbenzene is sourced from PubChem (CID 160659733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).