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

C21H19Cl2OTi — CID 175907066

IUPAC1,9-dihydrofluoren-1-ide;2,6-dimethylphenol;titanium(3+);dichloride
SMILESCc1cccc(C)c1O.[Cl-].[Cl-].[Ti+3].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C8H10O.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6-4-3-5-7(2)8(6)9;;;/h1-5,7-8H,9H2;3-5,9H,1-2H3;2*1H;/q-1;;;;+3/p-2
InChIKeyAAMQBVAKCOSJAA-UHFFFAOYSA-L
MW406.16 g/mol
LogP-0.93
Rot. Bonds

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

1,9-dihydrofluoren-1-ide;2,6-dimethylphenol;titanium(3+);dichloride (PubChem CID 175907066) has the molecular formula C21H19Cl2OTi and a molecular weight of 406.16 g/mol. Its IUPAC name is 1,9-dihydrofluoren-1-ide;2,6-dimethylphenol;titanium(3+);dichloride.

Molecular Properties

Compound Name1,9-dihydrofluoren-1-ide;2,6-dimethylphenol;titanium(3+);dichloride
PubChem CID175907066
Molecular FormulaC21H19Cl2OTi
Molecular Weight406.16 g/mol
Exact Mass405.03
IUPAC Name1,9-dihydrofluoren-1-ide;2,6-dimethylphenol;titanium(3+);dichloride
SMILESCc1cccc(C)c1O.[Cl-].[Cl-].[Ti+3].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C8H10O.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6-4-3-5-7(2)8(6)9;;;/h1-5,7-8H,9H2;3-5,9H,1-2H3;2*1H;/q-1;;;;+3/p-2
InChIKeyAAMQBVAKCOSJAA-UHFFFAOYSA-L
XLogP-0.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.16
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichlorophenol;1,9-dihydrofluoren-1-ide;titanium(3+);dichloride
CID 175729147
bis(1,9-dihydrofluoren-1-ide);zirconium(3+);trichloride
CID 157229521
1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride
CID 173274804
bis(1,9-dihydrofluoren-1-ide);ethane;titanium(4+)
CID 19698863
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);dimethylgermylidenezirconium(2+);dichloride
CID 159771388
CID 154493054
CID 154493054
carbanide;bis(1,9-dihydrofluoren-1-ide);dimethylsilylidenezirconium
CID 173275196
CID 173188170
CID 173188170
butane;1,9-dihydrofluoren-1-ide;titanium(4+)
CID 150363800

Frequently Asked Questions

What is the IUPAC name of 1,9-dihydrofluoren-1-ide;2,6-dimethylphenol;titanium(3+);dichloride?
The IUPAC name of 1,9-dihydrofluoren-1-ide;2,6-dimethylphenol;titanium(3+);dichloride (CID 175907066) is 1,9-dihydrofluoren-1-ide;2,6-dimethylphenol;titanium(3+);dichloride.
What is the SMILES notation for 1,9-dihydrofluoren-1-ide;2,6-dimethylphenol;titanium(3+);dichloride?
The canonical SMILES for 1,9-dihydrofluoren-1-ide;2,6-dimethylphenol;titanium(3+);dichloride is Cc1cccc(C)c1O.[Cl-].[Cl-].[Ti+3].[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1,9-dihydrofluoren-1-ide;2,6-dimethylphenol;titanium(3+);dichloride?
The InChIKey is AAMQBVAKCOSJAA-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C8H10O.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6-4-3-5-7(2)8(6)9;;;/h1-5,7-8H,9H2;3-5,9H,1-2H3;2*1H;/q-1;;;;+3/p-2.
What are the key properties of 1,9-dihydrofluoren-1-ide;2,6-dimethylphenol;titanium(3+);dichloride?
1,9-dihydrofluoren-1-ide;2,6-dimethylphenol;titanium(3+);dichloride has a molecular weight of 406.16 g/mol, XLogP of -0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dihydrofluoren-1-ide;2,6-dimethylphenol;titanium(3+);dichloride is sourced from PubChem (CID 175907066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).