benzene;methanol;rhenium

C7H9ORe- — CID 159592647

IUPACbenzene;methanol;rhenium
SMILESCO.[Re].[c-]1ccccc1
InChIInChI=1S/C6H5.CH4O.Re/c1-2-4-6-5-3-1;1-2;/h1-5H;2H,1H3;/q-1;;
InChIKeyFZVJQWDPZKYJMR-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.09
Rot. Bonds

About benzene;methanol;rhenium

benzene;methanol;rhenium (PubChem CID 159592647) has the molecular formula C7H9ORe- and a molecular weight of 295.36 g/mol. Its IUPAC name is benzene;methanol;rhenium.

Molecular Properties

Compound Namebenzene;methanol;rhenium
PubChem CID159592647
Molecular FormulaC7H9ORe-
Molecular Weight295.36 g/mol
Exact Mass296.02
IUPAC Namebenzene;methanol;rhenium
SMILESCO.[Re].[c-]1ccccc1
InChIInChI=1S/C6H5.CH4O.Re/c1-2-4-6-5-3-1;1-2;/h1-5H;2H,1H3;/q-1;;
InChIKeyFZVJQWDPZKYJMR-UHFFFAOYSA-N
XLogP1.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.09
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 benzene;methanol;rhenium?
The IUPAC name of benzene;methanol;rhenium (CID 159592647) is benzene;methanol;rhenium.
What is the SMILES notation for benzene;methanol;rhenium?
The canonical SMILES for benzene;methanol;rhenium is CO.[Re].[c-]1ccccc1.
What is the InChIKey of benzene;methanol;rhenium?
The InChIKey is FZVJQWDPZKYJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.CH4O.Re/c1-2-4-6-5-3-1;1-2;/h1-5H;2H,1H3;/q-1;;.
What are the key properties of benzene;methanol;rhenium?
benzene;methanol;rhenium has a molecular weight of 295.36 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;methanol;rhenium is sourced from PubChem (CID 159592647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).