dichlorotitanium;2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol

C17H18Cl2N2O2Ti — CID 135852922

IUPACdichlorotitanium;2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
SMILESCl[Ti]Cl.Oc1ccccc1/C=N\CCC/N=C/c1ccccc1O
InChIInChI=1S/C17H18N2O2.2ClH.Ti/c20-16-8-3-1-6-14(16)12-18-10-5-11-19-13-15-7-2-4-9-17(15)21;;;/h1-4,6-9,12-13,20-21H,5,10-11H2;2*1H;/q;;;+2/p-2/b18-12-,19-13+;;;
InChIKeyTUJWZIODHILJBV-MWPTWBDRSA-L
MW401.12 g/mol
LogP4.40
Rot. Bonds6

About dichlorotitanium;2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol

dichlorotitanium;2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol (PubChem CID 135852922) has the molecular formula C17H18Cl2N2O2Ti and a molecular weight of 401.12 g/mol. Its IUPAC name is dichlorotitanium;2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol.

Molecular Properties

Compound Namedichlorotitanium;2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
PubChem CID135852922
Molecular FormulaC17H18Cl2N2O2Ti
Molecular Weight401.12 g/mol
Exact Mass400.02
IUPAC Namedichlorotitanium;2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
SMILESCl[Ti]Cl.Oc1ccccc1/C=N\CCC/N=C/c1ccccc1O
InChIInChI=1S/C17H18N2O2.2ClH.Ti/c20-16-8-3-1-6-14(16)12-18-10-5-11-19-13-15-7-2-4-9-17(15)21;;;/h1-4,6-9,12-13,20-21H,5,10-11H2;2*1H;/q;;;+2/p-2/b18-12-,19-13+;;;
InChIKeyTUJWZIODHILJBV-MWPTWBDRSA-L
XLogP4.40
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.12
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol;oxochromium;perchlorate
CID 135501072
cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;hydrate
CID 135442959
sodium;cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 135544422
2-[3-[2-[3-[(2-hydroxyphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]phenol
CID 5260284
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxovanadium(2+)
CID 158910145
bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]azanide;copper(1+)
CID 135987878
2-(3-methylselanylpropyliminomethyl)phenol
CID 136817271
2-[4-[(2-methoxyphenyl)methylideneamino]butyliminomethyl]phenol
CID 135730678

Frequently Asked Questions

What is the IUPAC name of dichlorotitanium;2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol?
The IUPAC name of dichlorotitanium;2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol (CID 135852922) is dichlorotitanium;2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol.
What is the SMILES notation for dichlorotitanium;2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol?
The canonical SMILES for dichlorotitanium;2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol is Cl[Ti]Cl.Oc1ccccc1/C=N\CCC/N=C/c1ccccc1O.
What is the InChIKey of dichlorotitanium;2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol?
The InChIKey is TUJWZIODHILJBV-MWPTWBDRSA-L. The full InChI is InChI=1S/C17H18N2O2.2ClH.Ti/c20-16-8-3-1-6-14(16)12-18-10-5-11-19-13-15-7-2-4-9-17(15)21;;;/h1-4,6-9,12-13,20-21H,5,10-11H2;2*1H;/q;;;+2/p-2/b18-12-,19-13+;;;.
What are the key properties of dichlorotitanium;2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol?
dichlorotitanium;2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol has a molecular weight of 401.12 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotitanium;2-[3-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol is sourced from PubChem (CID 135852922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).