phenol;titanium(2+)

C6H6OTi+2 — CID 23042599

IUPACphenol;titanium(2+)
SMILESOc1ccccc1.[Ti+2]
InChIInChI=1S/C6H6O.Ti/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+2
InChIKeySTFYUXNFSKMFFX-UHFFFAOYSA-N
MW141.98 g/mol
LogP1.39
Rot. Bonds

About phenol;titanium(2+)

phenol;titanium(2+) (PubChem CID 23042599) has the molecular formula C6H6OTi+2 and a molecular weight of 141.98 g/mol. Its IUPAC name is phenol;titanium(2+).

Molecular Properties

Compound Namephenol;titanium(2+)
PubChem CID23042599
Molecular FormulaC6H6OTi+2
Molecular Weight141.98 g/mol
Exact Mass141.99
IUPAC Namephenol;titanium(2+)
SMILESOc1ccccc1.[Ti+2]
InChIInChI=1S/C6H6O.Ti/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+2
InChIKeySTFYUXNFSKMFFX-UHFFFAOYSA-N
XLogP1.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.98
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of phenol;titanium(2+)?
The IUPAC name of phenol;titanium(2+) (CID 23042599) is phenol;titanium(2+).
What is the SMILES notation for phenol;titanium(2+)?
The canonical SMILES for phenol;titanium(2+) is Oc1ccccc1.[Ti+2].
What is the InChIKey of phenol;titanium(2+)?
The InChIKey is STFYUXNFSKMFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.Ti/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+2.
What are the key properties of phenol;titanium(2+)?
phenol;titanium(2+) has a molecular weight of 141.98 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;titanium(2+) is sourced from PubChem (CID 23042599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).