2,6-dichlorophenol;1,9-dihydrofluoren-1-ide;titanium(3+);dichloride

C19H13Cl4OTi — CID 175729147

IUPAC2,6-dichlorophenol;1,9-dihydrofluoren-1-ide;titanium(3+);dichloride
SMILESOc1c(Cl)cccc1Cl.[Cl-].[Cl-].[Ti+3].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C6H4Cl2O.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;7-4-2-1-3-5(8)6(4)9;;;/h1-5,7-8H,9H2;1-3,9H;2*1H;/q-1;;;;+3/p-2
InChIKeyRRKIPYNHNTUTKB-UHFFFAOYSA-L
MW446.99 g/mol
LogP-0.24
Rot. Bonds

About 2,6-dichlorophenol;1,9-dihydrofluoren-1-ide;titanium(3+);dichloride

2,6-dichlorophenol;1,9-dihydrofluoren-1-ide;titanium(3+);dichloride (PubChem CID 175729147) has the molecular formula C19H13Cl4OTi and a molecular weight of 446.99 g/mol. Its IUPAC name is 2,6-dichlorophenol;1,9-dihydrofluoren-1-ide;titanium(3+);dichloride.

Molecular Properties

Compound Name2,6-dichlorophenol;1,9-dihydrofluoren-1-ide;titanium(3+);dichloride
PubChem CID175729147
Molecular FormulaC19H13Cl4OTi
Molecular Weight446.99 g/mol
Exact Mass444.92
IUPAC Name2,6-dichlorophenol;1,9-dihydrofluoren-1-ide;titanium(3+);dichloride
SMILESOc1c(Cl)cccc1Cl.[Cl-].[Cl-].[Ti+3].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C6H4Cl2O.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;7-4-2-1-3-5(8)6(4)9;;;/h1-5,7-8H,9H2;1-3,9H;2*1H;/q-1;;;;+3/p-2
InChIKeyRRKIPYNHNTUTKB-UHFFFAOYSA-L
XLogP-0.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.99
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,6-dichlorophenol;1,9-dihydrofluoren-1-ide;titanium(3+);dichloride 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

1,9-dihydrofluoren-1-ide;2,6-dimethylphenol;titanium(3+);dichloride
CID 175907066
bis(1,9-dihydrofluoren-1-ide);zirconium(3+);trichloride
CID 157229521
1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride
CID 173274804
1,9-dihydrofluoren-1-ide;titanium(4+);trifluoride
CID 173097726
1,9-dihydrofluoren-1-ide;zirconium(4+);tribromide
CID 173097773
bis(1,9-dihydrofluoren-1-ide);methane;zirconium(2+)
CID 22027323
bis(1,9-dihydrofluoren-1-ide);ethane;titanium(4+)
CID 19698863
bis(1,9-dihydrofluoren-1-ide);dimethylgermylidenezirconium(2+);dichloride
CID 159771388
CID 154493054
CID 154493054
dichloro(ethylidene)zirconium;bis(1,9-dihydrofluoren-1-ide)
CID 87137061
CID 159626377
CID 159626377
carbanide;bis(1,9-dihydrofluoren-1-ide);dimethylsilylidenezirconium
CID 173275196

Frequently Asked Questions

What is the IUPAC name of 2,6-dichlorophenol;1,9-dihydrofluoren-1-ide;titanium(3+);dichloride?
The IUPAC name of 2,6-dichlorophenol;1,9-dihydrofluoren-1-ide;titanium(3+);dichloride (CID 175729147) is 2,6-dichlorophenol;1,9-dihydrofluoren-1-ide;titanium(3+);dichloride.
What is the SMILES notation for 2,6-dichlorophenol;1,9-dihydrofluoren-1-ide;titanium(3+);dichloride?
The canonical SMILES for 2,6-dichlorophenol;1,9-dihydrofluoren-1-ide;titanium(3+);dichloride is Oc1c(Cl)cccc1Cl.[Cl-].[Cl-].[Ti+3].[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 2,6-dichlorophenol;1,9-dihydrofluoren-1-ide;titanium(3+);dichloride?
The InChIKey is RRKIPYNHNTUTKB-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C6H4Cl2O.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;7-4-2-1-3-5(8)6(4)9;;;/h1-5,7-8H,9H2;1-3,9H;2*1H;/q-1;;;;+3/p-2.
What are the key properties of 2,6-dichlorophenol;1,9-dihydrofluoren-1-ide;titanium(3+);dichloride?
2,6-dichlorophenol;1,9-dihydrofluoren-1-ide;titanium(3+);dichloride has a molecular weight of 446.99 g/mol, XLogP of -0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichlorophenol;1,9-dihydrofluoren-1-ide;titanium(3+);dichloride is sourced from PubChem (CID 175729147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).