2-tert-butyl-6-(naphthalen-1-yliminomethyl)phenol;dichlorotitanium

C21H21Cl2NOTi — CID 175087881

IUPAC2-tert-butyl-6-(naphthalen-1-yliminomethyl)phenol;dichlorotitanium
SMILESCC(C)(C)c1cccc(/C=N/c2cccc3ccccc23)c1O.Cl[Ti]Cl
InChIInChI=1S/C21H21NO.2ClH.Ti/c1-21(2,3)18-12-6-10-16(20(18)23)14-22-19-13-7-9-15-8-4-5-11-17(15)19;;;/h4-14,23H,1-3H3;2*1H;/q;;;+2/p-2/b22-14+;;;
InChIKeyOZAHIBXFRUEZGA-UZCIDVFDSA-L
MW422.18 g/mol
LogP6.97
Rot. Bonds2

About 2-tert-butyl-6-(naphthalen-1-yliminomethyl)phenol;dichlorotitanium

2-tert-butyl-6-(naphthalen-1-yliminomethyl)phenol;dichlorotitanium (PubChem CID 175087881) has the molecular formula C21H21Cl2NOTi and a molecular weight of 422.18 g/mol. Its IUPAC name is 2-tert-butyl-6-(naphthalen-1-yliminomethyl)phenol;dichlorotitanium.

Molecular Properties

Compound Name2-tert-butyl-6-(naphthalen-1-yliminomethyl)phenol;dichlorotitanium
PubChem CID175087881
Molecular FormulaC21H21Cl2NOTi
Molecular Weight422.18 g/mol
Exact Mass421.05
IUPAC Name2-tert-butyl-6-(naphthalen-1-yliminomethyl)phenol;dichlorotitanium
SMILESCC(C)(C)c1cccc(/C=N/c2cccc3ccccc23)c1O.Cl[Ti]Cl
InChIInChI=1S/C21H21NO.2ClH.Ti/c1-21(2,3)18-12-6-10-16(20(18)23)14-22-19-13-7-9-15-8-4-5-11-17(15)19;;;/h4-14,23H,1-3H3;2*1H;/q;;;+2/p-2/b22-14+;;;
InChIKeyOZAHIBXFRUEZGA-UZCIDVFDSA-L
XLogP6.97
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.18
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-6-[[1-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]phenol
CID 135414322
2-tert-butyl-6-[[2-[2-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]phenol
CID 140501402
bis(2-tert-butyl-6-[(2-chlorophenyl)iminomethyl]phenol);bis(2-tert-butyl-6-(methyliminomethyl)phenol);bis(dichlorotitanium);bis(dichlorozirconium)
CID 160877005
2-tert-butyl-6-[6-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol;dichlorotitanium
CID 135979954
2-tert-butyl-6-[(2-propan-2-ylphenyl)iminomethyl]phenol;titanium(2+);dichloride
CID 175088591
bis(2-tert-butyl-6-(phenyliminomethyl)phenol);carbanide;hafnium
CID 139242538
4-bromo-2-[[5-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-6-tert-butylphenol
CID 135405998
2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxyphenyl)methylideneamino]-1-methylpyridin-1-ium-4-yl]iminomethyl]phenol
CID 139043422
bis(2-tert-butyl-6-[(4-pent-4-enoxyphenyl)iminomethyl]phenol);dichlorotitanium
CID 137229364
2-tert-butyl-6-(cyclohexyliminomethyl)phenol;dichlorotitanium
CID 175086437
4-bromo-2-[[1-[2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-tert-butylphenol
CID 136702081
bis(2-[(2-but-3-enoxyphenyl)iminomethyl]-6-(2-phenylpropan-2-yl)phenol);dichlorotitanium
CID 137176075

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(naphthalen-1-yliminomethyl)phenol;dichlorotitanium?
The IUPAC name of 2-tert-butyl-6-(naphthalen-1-yliminomethyl)phenol;dichlorotitanium (CID 175087881) is 2-tert-butyl-6-(naphthalen-1-yliminomethyl)phenol;dichlorotitanium.
What is the SMILES notation for 2-tert-butyl-6-(naphthalen-1-yliminomethyl)phenol;dichlorotitanium?
The canonical SMILES for 2-tert-butyl-6-(naphthalen-1-yliminomethyl)phenol;dichlorotitanium is CC(C)(C)c1cccc(/C=N/c2cccc3ccccc23)c1O.Cl[Ti]Cl.
What is the InChIKey of 2-tert-butyl-6-(naphthalen-1-yliminomethyl)phenol;dichlorotitanium?
The InChIKey is OZAHIBXFRUEZGA-UZCIDVFDSA-L. The full InChI is InChI=1S/C21H21NO.2ClH.Ti/c1-21(2,3)18-12-6-10-16(20(18)23)14-22-19-13-7-9-15-8-4-5-11-17(15)19;;;/h4-14,23H,1-3H3;2*1H;/q;;;+2/p-2/b22-14+;;;.
What are the key properties of 2-tert-butyl-6-(naphthalen-1-yliminomethyl)phenol;dichlorotitanium?
2-tert-butyl-6-(naphthalen-1-yliminomethyl)phenol;dichlorotitanium has a molecular weight of 422.18 g/mol, XLogP of 6.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(naphthalen-1-yliminomethyl)phenol;dichlorotitanium is sourced from PubChem (CID 175087881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).