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)

C108H131Cl10N5O5Ti5 — CID 161012935

IUPAC2-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)
SMILESCC(C)Cc1cc(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.Cc1cc(C2CCCCC2)cc(/C=N/c2ccccc2)c1O.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl
InChIInChI=1S/2C23H29NO.C22H27NO.2C20H23NO.10ClH.5Ti/c1-17(2)13-20-14-19(18-9-5-3-6-10-18)15-21(23(20)25)16-24-22-11-7-4-8-12-22;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;2*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;;;;;;;;;;;;;;;/h4,7-8,11-12,14-18,25H,3,5-6,9-10,13H2,1-2H3;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;2*3,6-7,10-14,16,22H,2,4-5,8-9H2,1H3;10*1H;;;;;/q;;;;;;;;;;;;;;;5*+2/p-10/b24-16+;24-17+;23-16+;2*21-14+;;;;;;;;;;;;;;;
InChIKeyDYWLXKNUQXHKRF-LTRWZWLHSA-D
MW2173.13 g/mol
LogP36.95
Rot. Bonds22

About 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)

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) (PubChem CID 161012935) has the molecular formula C108H131Cl10N5O5Ti5 and a molecular weight of 2173.13 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name2-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)
PubChem CID161012935
Molecular FormulaC108H131Cl10N5O5Ti5
Molecular Weight2173.13 g/mol
Exact Mass2167.44
IUPAC Name2-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)
SMILESCC(C)Cc1cc(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.Cc1cc(C2CCCCC2)cc(/C=N/c2ccccc2)c1O.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl
InChIInChI=1S/2C23H29NO.C22H27NO.2C20H23NO.10ClH.5Ti/c1-17(2)13-20-14-19(18-9-5-3-6-10-18)15-21(23(20)25)16-24-22-11-7-4-8-12-22;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;2*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;;;;;;;;;;;;;;;/h4,7-8,11-12,14-18,25H,3,5-6,9-10,13H2,1-2H3;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;2*3,6-7,10-14,16,22H,2,4-5,8-9H2,1H3;10*1H;;;;;/q;;;;;;;;;;;;;;;5*+2/p-10/b24-16+;24-17+;23-16+;2*21-14+;;;;;;;;;;;;;;;
InChIKeyDYWLXKNUQXHKRF-LTRWZWLHSA-D
XLogP36.95
TPSA162.95 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002173.13
LogP ≤ 536.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 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) with MolForge

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Related Compounds

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
4-butyl-2-[[4-[(5-butyl-2-hydroxy-3-methylphenyl)methylideneamino]phenyl]iminomethyl]-6-methylphenol
CID 137143929
2-[[4-[(2-hydroxy-3,5-dipropylphenyl)methylideneamino]phenyl]iminomethyl]-4,6-dipropylphenol
CID 137130350
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-benzoyloxy-3-butyl-5-cyclopentylphenyl) benzoate
CID 67430092
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
1-(3-heptyl-5-methyl-2-propan-2-yloxyphenyl)-N-phenylmethanimine
CID 142925888
dichlorozirconium;2-methyl-6-(phenyliminomethyl)phenol
CID 174611638
2-chloro-4-cyclohexyl-6-[3-(dimethylamino)propyl]phenol
CID 170865474
1-butyl-2-(1-cyclohexylethyl)benzene
CID 139768984
2-[[3-[[2-hydroxy-3-methyl-5-(2-methylpropyl)phenyl]methylideneamino]naphthalen-2-yl]iminomethyl]-6-methyl-4-(2-methylpropyl)phenol
CID 137099226

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CC(C)Cc1cc(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.Cc1cc(C2CCCCC2)cc(/C=N/c2ccccc2)c1O.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.
What is the InChIKey of 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)?
The InChIKey is DYWLXKNUQXHKRF-LTRWZWLHSA-D. The full InChI is InChI=1S/2C23H29NO.C22H27NO.2C20H23NO.10ClH.5Ti/c1-17(2)13-20-14-19(18-9-5-3-6-10-18)15-21(23(20)25)16-24-22-11-7-4-8-12-22;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;2*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;;;;;;;;;;;;;;;/h4,7-8,11-12,14-18,25H,3,5-6,9-10,13H2,1-2H3;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;2*3,6-7,10-14,16,22H,2,4-5,8-9H2,1H3;10*1H;;;;;/q;;;;;;;;;;;;;;;5*+2/p-10/b24-16+;24-17+;23-16+;2*21-14+;;;;;;;;;;;;;;;.
What are the key properties of 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)?
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) has a molecular weight of 2173.13 g/mol, XLogP of 36.95, 22 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 161012935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).