carbanide;2-phenylphenol;titanium(3+)

C15H19OTi — CID 59317555

IUPACcarbanide;2-phenylphenol;titanium(3+)
SMILESOc1ccccc1-c1ccccc1.[CH3-].[CH3-].[CH3-].[Ti+3]
InChIInChI=1S/C12H10O.3CH3.Ti/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;;;;/h1-9,13H;3*1H3;/q;3*-1;+3
InChIKeyVREQZXFWOYMQBT-UHFFFAOYSA-N
MW263.18 g/mol
LogP4.41
Rot. Bonds1

About carbanide;2-phenylphenol;titanium(3+)

carbanide;2-phenylphenol;titanium(3+) (PubChem CID 59317555) has the molecular formula C15H19OTi and a molecular weight of 263.18 g/mol. Its IUPAC name is carbanide;2-phenylphenol;titanium(3+).

Molecular Properties

Compound Namecarbanide;2-phenylphenol;titanium(3+)
PubChem CID59317555
Molecular FormulaC15H19OTi
Molecular Weight263.18 g/mol
Exact Mass263.09
IUPAC Namecarbanide;2-phenylphenol;titanium(3+)
SMILESOc1ccccc1-c1ccccc1.[CH3-].[CH3-].[CH3-].[Ti+3]
InChIInChI=1S/C12H10O.3CH3.Ti/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;;;;/h1-9,13H;3*1H3;/q;3*-1;+3
InChIKeyVREQZXFWOYMQBT-UHFFFAOYSA-N
XLogP4.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.18
LogP ≤ 54.41
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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Frequently Asked Questions

What is the IUPAC name of carbanide;2-phenylphenol;titanium(3+)?
The IUPAC name of carbanide;2-phenylphenol;titanium(3+) (CID 59317555) is carbanide;2-phenylphenol;titanium(3+).
What is the SMILES notation for carbanide;2-phenylphenol;titanium(3+)?
The canonical SMILES for carbanide;2-phenylphenol;titanium(3+) is Oc1ccccc1-c1ccccc1.[CH3-].[CH3-].[CH3-].[Ti+3].
What is the InChIKey of carbanide;2-phenylphenol;titanium(3+)?
The InChIKey is VREQZXFWOYMQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.3CH3.Ti/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;;;;/h1-9,13H;3*1H3;/q;3*-1;+3.
What are the key properties of carbanide;2-phenylphenol;titanium(3+)?
carbanide;2-phenylphenol;titanium(3+) has a molecular weight of 263.18 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-phenylphenol;titanium(3+) is sourced from PubChem (CID 59317555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).