methylbenzene;methyl phenyl carbonate;tungsten(2+)

C15H14O3W — CID 18715998

IUPACmethylbenzene;methyl phenyl carbonate;tungsten(2+)
SMILESCOC(=O)Oc1cc[c-]cc1.Cc1cc[c-]cc1.[W+2]
InChIInChI=1S/C8H7O3.C7H7.W/c1-10-8(9)11-7-5-3-2-4-6-7;1-7-5-3-2-4-6-7;/h3-6H,1H3;3-6H,1H3;/q2*-1;+2
InChIKeyZDHBXKCFGSYHTG-UHFFFAOYSA-N
MW426.11 g/mol
LogP3.42
Rot. Bonds1

About methylbenzene;methyl phenyl carbonate;tungsten(2+)

methylbenzene;methyl phenyl carbonate;tungsten(2+) (PubChem CID 18715998) has the molecular formula C15H14O3W and a molecular weight of 426.11 g/mol. Its IUPAC name is methylbenzene;methyl phenyl carbonate;tungsten(2+).

Molecular Properties

Compound Namemethylbenzene;methyl phenyl carbonate;tungsten(2+)
PubChem CID18715998
Molecular FormulaC15H14O3W
Molecular Weight426.11 g/mol
Exact Mass426.05
IUPAC Namemethylbenzene;methyl phenyl carbonate;tungsten(2+)
SMILESCOC(=O)Oc1cc[c-]cc1.Cc1cc[c-]cc1.[W+2]
InChIInChI=1S/C8H7O3.C7H7.W/c1-10-8(9)11-7-5-3-2-4-6-7;1-7-5-3-2-4-6-7;/h3-6H,1H3;3-6H,1H3;/q2*-1;+2
InChIKeyZDHBXKCFGSYHTG-UHFFFAOYSA-N
XLogP3.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.11
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Analyze methylbenzene;methyl phenyl carbonate;tungsten(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Lithium 1-(methoxymethoxy)-2-methylbenzene-6-ide
CID 57533349
(3-Fluoro-3-methylcyclohepta-1,4,6-trien-1-yl) methyl carbonate
CID 146489996
Lithium 1-(methoxymethoxy)-3-methylbenzene-2-ide
CID 135082882
methyl [(2E,4E)-4-methylhexa-2,4-dienyl] carbonate
CID 10931855
Tert-butyl cyclohexa-1,5-dien-1-yl carbonate
CID 19094821
(4-Propan-2-ylidenecyclohexa-1,5-dien-1-yl) hydrogen carbonate
CID 19790629
Bis(2-prop-1-en-2-ylpyran-2-yl) carbonate
CID 22267032
Bis(2-ethenylpyran-2-yl) carbonate
CID 22267061
methyl [(2E)-4-methylpenta-2,4-dienyl] carbonate
CID 22986742
6-(2-cyclohexa-1,5-dien-1-ylethenoxy)-2H-pyran
CID 53923708
Methyl 4-methylhexa-2,4-dienyl carbonate
CID 53926508
Methyl 4-methylpenta-2,4-dienyl carbonate
CID 53975315

Frequently Asked Questions

What is the IUPAC name of methylbenzene;methyl phenyl carbonate;tungsten(2+)?
The IUPAC name of methylbenzene;methyl phenyl carbonate;tungsten(2+) (CID 18715998) is methylbenzene;methyl phenyl carbonate;tungsten(2+).
What is the SMILES notation for methylbenzene;methyl phenyl carbonate;tungsten(2+)?
The canonical SMILES for methylbenzene;methyl phenyl carbonate;tungsten(2+) is COC(=O)Oc1cc[c-]cc1.Cc1cc[c-]cc1.[W+2].
What is the InChIKey of methylbenzene;methyl phenyl carbonate;tungsten(2+)?
The InChIKey is ZDHBXKCFGSYHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7O3.C7H7.W/c1-10-8(9)11-7-5-3-2-4-6-7;1-7-5-3-2-4-6-7;/h3-6H,1H3;3-6H,1H3;/q2*-1;+2.
What are the key properties of methylbenzene;methyl phenyl carbonate;tungsten(2+)?
methylbenzene;methyl phenyl carbonate;tungsten(2+) has a molecular weight of 426.11 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylbenzene;methyl phenyl carbonate;tungsten(2+) is sourced from PubChem (CID 18715998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).