4-phenyltellanylbutan-2-one

C10H12OTe — CID 14342901

IUPAC4-phenyltellanylbutan-2-one
SMILESCC(=O)CC[Te]c1ccccc1
InChIInChI=1S/C10H12OTe/c1-9(11)7-8-12-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKeyVLTXERAJKHCQRW-UHFFFAOYSA-N
MW275.80 g/mol
LogP1.41
Rot. Bonds4

About 4-phenyltellanylbutan-2-one

4-phenyltellanylbutan-2-one (PubChem CID 14342901) has the molecular formula C10H12OTe and a molecular weight of 275.80 g/mol. Its IUPAC name is 4-phenyltellanylbutan-2-one.

Molecular Properties

Compound Name4-phenyltellanylbutan-2-one
PubChem CID14342901
Molecular FormulaC10H12OTe
Molecular Weight275.80 g/mol
Exact Mass278.00
IUPAC Name4-phenyltellanylbutan-2-one
SMILESCC(=O)CC[Te]c1ccccc1
InChIInChI=1S/C10H12OTe/c1-9(11)7-8-12-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKeyVLTXERAJKHCQRW-UHFFFAOYSA-N
XLogP1.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.80
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-phenyltellanylbutan-2-one?
The IUPAC name of 4-phenyltellanylbutan-2-one (CID 14342901) is 4-phenyltellanylbutan-2-one.
What is the SMILES notation for 4-phenyltellanylbutan-2-one?
The canonical SMILES for 4-phenyltellanylbutan-2-one is CC(=O)CC[Te]c1ccccc1.
What is the InChIKey of 4-phenyltellanylbutan-2-one?
The InChIKey is VLTXERAJKHCQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12OTe/c1-9(11)7-8-12-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3.
What are the key properties of 4-phenyltellanylbutan-2-one?
4-phenyltellanylbutan-2-one has a molecular weight of 275.80 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyltellanylbutan-2-one is sourced from PubChem (CID 14342901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).