dichlorotitanium;bis(2-methoxyphenol)

C14H16Cl2O4Ti — CID 164736686

IUPACdichlorotitanium;bis(2-methoxyphenol)
SMILESCOc1ccccc1O.COc1ccccc1O.Cl[Ti]Cl
InChIInChI=1S/2C7H8O2.2ClH.Ti/c2*1-9-7-5-3-2-4-6(7)8;;;/h2*2-5,8H,1H3;2*1H;/q;;;;+2/p-2
InChIKeyHMWDBBVEHBEFIG-UHFFFAOYSA-L
MW367.05 g/mol
LogP4.18
Rot. Bonds2

About dichlorotitanium;bis(2-methoxyphenol)

dichlorotitanium;bis(2-methoxyphenol) (PubChem CID 164736686) has the molecular formula C14H16Cl2O4Ti and a molecular weight of 367.05 g/mol. Its IUPAC name is dichlorotitanium;bis(2-methoxyphenol).

Molecular Properties

Compound Namedichlorotitanium;bis(2-methoxyphenol)
PubChem CID164736686
Molecular FormulaC14H16Cl2O4Ti
Molecular Weight367.05 g/mol
Exact Mass365.99
IUPAC Namedichlorotitanium;bis(2-methoxyphenol)
SMILESCOc1ccccc1O.COc1ccccc1O.Cl[Ti]Cl
InChIInChI=1S/2C7H8O2.2ClH.Ti/c2*1-9-7-5-3-2-4-6(7)8;;;/h2*2-5,8H,1H3;2*1H;/q;;;;+2/p-2
InChIKeyHMWDBBVEHBEFIG-UHFFFAOYSA-L
XLogP4.18
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.05
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze dichlorotitanium;bis(2-methoxyphenol) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;2-methoxyphenol
CID 172717837
methanethiol;2-methoxyphenol
CID 141484211
2-methoxyphenol;molecular bromine
CID 141484212
formonitrile;2-methoxyphenol
CID 161059546
CID 174763347
CID 174763347
2-methoxyphenol;oxalic acid
CID 162319729
methanesulfonic acid;2-methoxyphenol
CID 71332079
2-methoxyphenol;2-methylbenzene-1,4-diol
CID 161187108
2-methoxyphenol;N'-methylethane-1,2-diamine
CID 175514452
2-methylperoxyphenol
CID 18702042
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
azane;1,2-dimethoxybenzene
CID 174437926

Frequently Asked Questions

What is the IUPAC name of dichlorotitanium;bis(2-methoxyphenol)?
The IUPAC name of dichlorotitanium;bis(2-methoxyphenol) (CID 164736686) is dichlorotitanium;bis(2-methoxyphenol).
What is the SMILES notation for dichlorotitanium;bis(2-methoxyphenol)?
The canonical SMILES for dichlorotitanium;bis(2-methoxyphenol) is COc1ccccc1O.COc1ccccc1O.Cl[Ti]Cl.
What is the InChIKey of dichlorotitanium;bis(2-methoxyphenol)?
The InChIKey is HMWDBBVEHBEFIG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H8O2.2ClH.Ti/c2*1-9-7-5-3-2-4-6(7)8;;;/h2*2-5,8H,1H3;2*1H;/q;;;;+2/p-2.
What are the key properties of dichlorotitanium;bis(2-methoxyphenol)?
dichlorotitanium;bis(2-methoxyphenol) has a molecular weight of 367.05 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotitanium;bis(2-methoxyphenol) is sourced from PubChem (CID 164736686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).