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

C226H303F11N4O4 — CID 157114186

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-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
SMILESCC(C)C1CCCCC1.CC(C)c1c(F)c(F)c(F)c(F)c1F.CC(C)c1ccc(C(F)(F)F)cc1.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.COc1ccc(C(C)C)cc1.COc1cccc(C(C)C)c1.Cc1cc(C(C)C)cc(C(F)(F)F)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.C11H13F3.C10H11F3.3C10H14O.7C10H14.C9H7F5.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;1-7(2)9-4-8(3)5-10(6-9)11(12,13)14;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;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;4-7H,1-3H3;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;2*3-8H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3/b23-14+;;;;;;;;;;;;;;;;;;;;;
InChIKeyAHEUOKSWAJFALM-JNMNWUNRSA-N
MW3348.91 g/mol
LogP70.69
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-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

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 (PubChem CID 157114186) has the molecular formula C226H303F11N4O4 and a molecular weight of 3348.91 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-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.

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-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
PubChem CID157114186
Molecular FormulaC226H303F11N4O4
Molecular Weight3348.91 g/mol
Exact Mass3346.35
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-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
SMILESCC(C)C1CCCCC1.CC(C)c1c(F)c(F)c(F)c(F)c1F.CC(C)c1ccc(C(F)(F)F)cc1.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.COc1ccc(C(C)C)cc1.COc1cccc(C(C)C)c1.Cc1cc(C(C)C)cc(C(F)(F)F)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.C11H13F3.C10H11F3.3C10H14O.7C10H14.C9H7F5.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;1-7(2)9-4-8(3)5-10(6-9)11(12,13)14;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;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;4-7H,1-3H3;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;2*3-8H,1-2H3;2*3-7H,1-2H3;3-6H,1-2H3/b23-14+;;;;;;;;;;;;;;;;;;;;;
InChIKeyAHEUOKSWAJFALM-JNMNWUNRSA-N
XLogP70.69
TPSA102.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds30
Heavy Atoms245
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003348.91
LogP ≤ 570.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-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 with MolForge

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Related Compounds

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CID 155908886
6,6'-(4,4'-Di-tert-butyl-5,5'-di(furan-2-yl)-[1,1'-biphenyl]-2,2'-diyl)bis(3-fluoropyridine)
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6-[[3-[3-Benzyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]methoxy]naphthalene-2-carboxylic acid
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3-[3-Methyl-8-(trifluoromethyl)quinolin-4-yl]phenol;2-[4-[[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]acetic acid
CID 87928684
3-[[3-[[3-Benzyl-8-(trifluoromethyl)quinolin-4-yl]methyl]phenoxy]methyl]benzoic acid;methyl 3-[[3-[[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]methyl]phenoxy]methyl]benzoate
CID 87928749
2-[4-Hydroxy-2-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]-2-[4-[[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]acetic acid
CID 87981620
2-[2-[4-[5-[4-(3,5-Difluoro-2-pyridin-2-ylphenyl)phenyl]furan-2-yl]phenyl]-4,6-difluorophenyl]pyridine
CID 148622965
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
CID 157248733
CID 157345472
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
CID 157403229
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
CID 158279593
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);bis([4-(3-methylbenzoyl)phenyl]-(4-methylphenyl)methanone);1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[1-(4-methylphenyl)cyclohexyl]benzene
CID 158828193

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-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?
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-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 (CID 157114186) 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-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.
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-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?
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-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 is CC(C)C1CCCCC1.CC(C)c1c(F)c(F)c(F)c(F)c1F.CC(C)c1ccc(C(F)(F)F)cc1.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.COc1ccc(C(C)C)cc1.COc1cccc(C(C)C)c1.Cc1cc(C(C)C)cc(C(F)(F)F)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-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?
The InChIKey is AHEUOKSWAJFALM-JNMNWUNRSA-N. The full InChI is InChI=1S/C22H29N.C15H16.C11H13F3.C10H11F3.3C10H14O.7C10H14.C9H7F5.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;1-7(2)9-4-8(3)5-10(6-9)11(12,13)14;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;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;4-7H,1-3H3;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;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;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?
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 has a molecular weight of 3348.91 g/mol, XLogP of 70.69, 30 rotatable bonds, 1 hydrogen bond donors, and 8 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-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 is sourced from PubChem (CID 157114186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).