2-butyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;2-butyliodanuidyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-methyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-(phenyliminomethyl)-6-propylphenol;tetrakis(dichlorotitanium)

C88H108Cl8IN4O4Ti4- — CID 159566847

IUPAC2-butyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;2-butyliodanuidyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-methyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-(phenyliminomethyl)-6-propylphenol;tetrakis(dichlorotitanium)
SMILESCCCC[I-]c1cc(C2CCCCC2)cc(/C=N/c2ccccc2)c1O.CCCCc1cc(C2CCCCC2)cc(/C=N/c2ccccc2)c1O.CCCc1cc(C2CCCCC2)cc(/C=N/c2ccccc2)c1O.Cc1cc(C2CCCCC2)cc(/C=N/c2ccccc2)c1O.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl
InChIInChI=1S/C23H29INO.C23H29NO.C22H27NO.C20H23NO.8ClH.4Ti/c1-2-3-14-24-22-16-19(18-10-6-4-7-11-18)15-20(23(22)26)17-25-21-12-8-5-9-13-21;1-2-3-10-19-15-20(18-11-6-4-7-12-18)16-21(23(19)25)17-24-22-13-8-5-9-14-22;1-2-9-18-14-19(17-10-5-3-6-11-17)15-20(22(18)24)16-23-21-12-7-4-8-13-21;1-15-12-17(16-8-4-2-5-9-16)13-18(20(15)22)14-21-19-10-6-3-7-11-19;;;;;;;;;;;;/h5,8-9,12-13,15-18,26H,2-4,6-7,10-11,14H2,1H3;5,8-9,13-18,25H,2-4,6-7,10-12H2,1H3;4,7-8,12-17,24H,2-3,5-6,9-11H2,1H3;3,6-7,10-14,16,22H,2,4-5,8-9H2,1H3;8*1H;;;;/q-1;;;;;;;;;;;;4*+2/p-8/b25-17+;24-17+;23-16+;21-14+;;;;;;;;;;;;
InChIKeyFJSIGEVVRFKTQK-IATVNDPYSA-F
MW1887.85 g/mol
LogP26.93
Rot. Bonds21

About 2-butyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;2-butyliodanuidyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-methyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-(phenyliminomethyl)-6-propylphenol;tetrakis(dichlorotitanium)

2-butyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;2-butyliodanuidyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-methyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-(phenyliminomethyl)-6-propylphenol;tetrakis(dichlorotitanium) (PubChem CID 159566847) has the molecular formula C88H108Cl8IN4O4Ti4- and a molecular weight of 1887.85 g/mol. Its IUPAC name is 2-butyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;2-butyliodanuidyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-methyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-(phenyliminomethyl)-6-propylphenol;tetrakis(dichlorotitanium).

Molecular Properties

Compound Name2-butyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;2-butyliodanuidyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-methyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-(phenyliminomethyl)-6-propylphenol;tetrakis(dichlorotitanium)
PubChem CID159566847
Molecular FormulaC88H108Cl8IN4O4Ti4-
Molecular Weight1887.85 g/mol
Exact Mass1883.28
IUPAC Name2-butyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;2-butyliodanuidyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-methyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-(phenyliminomethyl)-6-propylphenol;tetrakis(dichlorotitanium)
SMILESCCCC[I-]c1cc(C2CCCCC2)cc(/C=N/c2ccccc2)c1O.CCCCc1cc(C2CCCCC2)cc(/C=N/c2ccccc2)c1O.CCCc1cc(C2CCCCC2)cc(/C=N/c2ccccc2)c1O.Cc1cc(C2CCCCC2)cc(/C=N/c2ccccc2)c1O.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl
InChIInChI=1S/C23H29INO.C23H29NO.C22H27NO.C20H23NO.8ClH.4Ti/c1-2-3-14-24-22-16-19(18-10-6-4-7-11-18)15-20(23(22)26)17-25-21-12-8-5-9-13-21;1-2-3-10-19-15-20(18-11-6-4-7-12-18)16-21(23(19)25)17-24-22-13-8-5-9-14-22;1-2-9-18-14-19(17-10-5-3-6-11-17)15-20(22(18)24)16-23-21-12-7-4-8-13-21;1-15-12-17(16-8-4-2-5-9-16)13-18(20(15)22)14-21-19-10-6-3-7-11-19;;;;;;;;;;;;/h5,8-9,12-13,15-18,26H,2-4,6-7,10-11,14H2,1H3;5,8-9,13-18,25H,2-4,6-7,10-12H2,1H3;4,7-8,12-17,24H,2-3,5-6,9-11H2,1H3;3,6-7,10-14,16,22H,2,4-5,8-9H2,1H3;8*1H;;;;/q-1;;;;;;;;;;;;4*+2/p-8/b25-17+;24-17+;23-16+;21-14+;;;;;;;;;;;;
InChIKeyFJSIGEVVRFKTQK-IATVNDPYSA-F
XLogP26.93
TPSA130.36 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001887.85
LogP ≤ 526.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-butyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;2-butyliodanuidyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-methyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-(phenyliminomethyl)-6-propylphenol;tetrakis(dichlorotitanium) with MolForge

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Related Compounds

2-butyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;bis(4-cyclohexyl-2-methyl-6-(phenyliminomethyl)phenol);4-cyclohexyl-2-(2-methylpropyl)-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-(phenyliminomethyl)-6-propylphenol;pentakis(dichlorotitanium)
CID 161012935
4-butyl-2-[[4-[(5-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-6-methylphenol
CID 137143929
2-anthracen-1-yl-4-methyl-6-(phenyliminomethyl)phenol;2-(2-bicyclo[2.2.1]heptanyl)-4-cyclohexyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-cyclononyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-naphthalen-1-yl-6-(phenyliminomethyl)phenol;tetrakis(dichlorotitanium)
CID 160872445
2-[[4-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]phenyl]iminomethyl]-4,6-dipropylphenol
CID 137130350
4-[(3-cyclohexyl-4-hydroxy-5-methylphenyl)methyl]-2-hexylnaphthalen-1-ol
CID 139607697
2-cyclohexyl-6-[(3,5-dimethylphenyl)iminomethyl]phenol;2-cyclohexyl-6-[(2-methylphenyl)iminomethyl]phenol;2-cyclooctyl-6-[(3,5-dimethylphenyl)iminomethyl]phenol;2-cyclooctyl-6-[(2-methylphenyl)iminomethyl]phenol;octakis(dichlorotitanium);2-[(3,5-dimethylphenyl)iminomethyl]-6-methylphenol;2-[(3,5-dimethylphenyl)iminomethyl]-6-phenylphenol;2-methyl-6-[(2-methylphenyl)iminomethyl]phenol;2-[(2-methylphenyl)iminomethyl]-6-phenylphenol
CID 160989421
(2-benzoyloxy-3-butyl-5-cyclopentylphenyl) benzoate
CID 67430092
2-cyclohexyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol;2-cyclooctyl-6-[(3,5-dimethylphenyl)iminomethyl]-4-methylphenol;2-cyclooctyl-4-methyl-6-[(2-methylphenyl)iminomethyl]phenol;pentakis(dichlorotitanium);2,4-dimethyl-6-[(2-methylphenyl)iminomethyl]phenol;4-methyl-2-[(2-methylphenyl)iminomethyl]-6-phenylphenol
CID 158343570
2-chloro-4-cyclohexyl-6-[3-(dimethylamino)propyl]phenol
CID 170865474
5-cyclopropyl-2-hydroxy-3-methylbenzaldehyde
CID 129178282
1-cyclohexyl-2-heptylbenzene
CID 154399814
2-hydroxy-5-methyl-3-(phenyliminomethyl)benzaldehyde
CID 136741770

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;2-butyliodanuidyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-methyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-(phenyliminomethyl)-6-propylphenol;tetrakis(dichlorotitanium)?
The IUPAC name of 2-butyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;2-butyliodanuidyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-methyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-(phenyliminomethyl)-6-propylphenol;tetrakis(dichlorotitanium) (CID 159566847) is 2-butyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;2-butyliodanuidyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-methyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-(phenyliminomethyl)-6-propylphenol;tetrakis(dichlorotitanium).
What is the SMILES notation for 2-butyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;2-butyliodanuidyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-methyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-(phenyliminomethyl)-6-propylphenol;tetrakis(dichlorotitanium)?
The canonical SMILES for 2-butyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;2-butyliodanuidyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-methyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-(phenyliminomethyl)-6-propylphenol;tetrakis(dichlorotitanium) is CCCC[I-]c1cc(C2CCCCC2)cc(/C=N/c2ccccc2)c1O.CCCCc1cc(C2CCCCC2)cc(/C=N/c2ccccc2)c1O.CCCc1cc(C2CCCCC2)cc(/C=N/c2ccccc2)c1O.Cc1cc(C2CCCCC2)cc(/C=N/c2ccccc2)c1O.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.
What is the InChIKey of 2-butyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;2-butyliodanuidyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-methyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-(phenyliminomethyl)-6-propylphenol;tetrakis(dichlorotitanium)?
The InChIKey is FJSIGEVVRFKTQK-IATVNDPYSA-F. The full InChI is InChI=1S/C23H29INO.C23H29NO.C22H27NO.C20H23NO.8ClH.4Ti/c1-2-3-14-24-22-16-19(18-10-6-4-7-11-18)15-20(23(22)26)17-25-21-12-8-5-9-13-21;1-2-3-10-19-15-20(18-11-6-4-7-12-18)16-21(23(19)25)17-24-22-13-8-5-9-14-22;1-2-9-18-14-19(17-10-5-3-6-11-17)15-20(22(18)24)16-23-21-12-7-4-8-13-21;1-15-12-17(16-8-4-2-5-9-16)13-18(20(15)22)14-21-19-10-6-3-7-11-19;;;;;;;;;;;;/h5,8-9,12-13,15-18,26H,2-4,6-7,10-11,14H2,1H3;5,8-9,13-18,25H,2-4,6-7,10-12H2,1H3;4,7-8,12-17,24H,2-3,5-6,9-11H2,1H3;3,6-7,10-14,16,22H,2,4-5,8-9H2,1H3;8*1H;;;;/q-1;;;;;;;;;;;;4*+2/p-8/b25-17+;24-17+;23-16+;21-14+;;;;;;;;;;;;.
What are the key properties of 2-butyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;2-butyliodanuidyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-methyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-(phenyliminomethyl)-6-propylphenol;tetrakis(dichlorotitanium)?
2-butyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;2-butyliodanuidyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-methyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-(phenyliminomethyl)-6-propylphenol;tetrakis(dichlorotitanium) has a molecular weight of 1887.85 g/mol, XLogP of 26.93, 21 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;2-butyliodanuidyl-4-cyclohexyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-methyl-6-(phenyliminomethyl)phenol;4-cyclohexyl-2-(phenyliminomethyl)-6-propylphenol;tetrakis(dichlorotitanium) is sourced from PubChem (CID 159566847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).