2-phenyl-2H-pyran;titanium

C11H9OTi- — CID 150010231

IUPAC2-phenyl-2H-pyran;titanium
SMILES[Ti].[c-]1cccc(C2C=CC=CO2)c1
InChIInChI=1S/C11H9O.Ti/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-2,4-9,11H;/q-1;
InChIKeyAIOIDCFJKNLBOV-UHFFFAOYSA-N
MW205.06 g/mol
LogP2.63
Rot. Bonds1

About 2-phenyl-2H-pyran;titanium

2-phenyl-2H-pyran;titanium (PubChem CID 150010231) has the molecular formula C11H9OTi- and a molecular weight of 205.06 g/mol. Its IUPAC name is 2-phenyl-2H-pyran;titanium.

Molecular Properties

Compound Name2-phenyl-2H-pyran;titanium
PubChem CID150010231
Molecular FormulaC11H9OTi-
Molecular Weight205.06 g/mol
Exact Mass205.01
IUPAC Name2-phenyl-2H-pyran;titanium
SMILES[Ti].[c-]1cccc(C2C=CC=CO2)c1
InChIInChI=1S/C11H9O.Ti/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-2,4-9,11H;/q-1;
InChIKeyAIOIDCFJKNLBOV-UHFFFAOYSA-N
XLogP2.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.06
LogP ≤ 52.63
H-Bond Donors ≤ 50
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 2-phenyl-2H-pyran;titanium?
The IUPAC name of 2-phenyl-2H-pyran;titanium (CID 150010231) is 2-phenyl-2H-pyran;titanium.
What is the SMILES notation for 2-phenyl-2H-pyran;titanium?
The canonical SMILES for 2-phenyl-2H-pyran;titanium is [Ti].[c-]1cccc(C2C=CC=CO2)c1.
What is the InChIKey of 2-phenyl-2H-pyran;titanium?
The InChIKey is AIOIDCFJKNLBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9O.Ti/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-2,4-9,11H;/q-1;.
What are the key properties of 2-phenyl-2H-pyran;titanium?
2-phenyl-2H-pyran;titanium has a molecular weight of 205.06 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2H-pyran;titanium is sourced from PubChem (CID 150010231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).