1-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]ethanone;tungsten(2+)

C12H12O2W — CID 20828870

IUPAC1-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]ethanone;tungsten(2+)
SMILESC=C(C)COc1c[c-]c(C([CH2-])=O)cc1.[W+2]
InChIInChI=1S/C12H12O2.W/c1-9(2)8-14-12-6-4-11(5-7-12)10(3)13;/h4,6-7H,1,3,8H2,2H3;/q-2;+2
InChIKeyGTDHQTBLUWXDRZ-UHFFFAOYSA-N
MW372.07 g/mol
LogP2.46
Rot. Bonds4

About 1-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]ethanone;tungsten(2+)

1-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]ethanone;tungsten(2+) (PubChem CID 20828870) has the molecular formula C12H12O2W and a molecular weight of 372.07 g/mol. Its IUPAC name is 1-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]ethanone;tungsten(2+).

Molecular Properties

Compound Name1-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]ethanone;tungsten(2+)
PubChem CID20828870
Molecular FormulaC12H12O2W
Molecular Weight372.07 g/mol
Exact Mass372.03
IUPAC Name1-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]ethanone;tungsten(2+)
SMILESC=C(C)COc1c[c-]c(C([CH2-])=O)cc1.[W+2]
InChIInChI=1S/C12H12O2.W/c1-9(2)8-14-12-6-4-11(5-7-12)10(3)13;/h4,6-7H,1,3,8H2,2H3;/q-2;+2
InChIKeyGTDHQTBLUWXDRZ-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.07
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]ethanone;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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]ethanone;tungsten(2+)?
The IUPAC name of 1-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]ethanone;tungsten(2+) (CID 20828870) is 1-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]ethanone;tungsten(2+).
What is the SMILES notation for 1-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]ethanone;tungsten(2+)?
The canonical SMILES for 1-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]ethanone;tungsten(2+) is C=C(C)COc1c[c-]c(C([CH2-])=O)cc1.[W+2].
What is the InChIKey of 1-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]ethanone;tungsten(2+)?
The InChIKey is GTDHQTBLUWXDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2.W/c1-9(2)8-14-12-6-4-11(5-7-12)10(3)13;/h4,6-7H,1,3,8H2,2H3;/q-2;+2.
What are the key properties of 1-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]ethanone;tungsten(2+)?
1-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]ethanone;tungsten(2+) has a molecular weight of 372.07 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]ethanone;tungsten(2+) is sourced from PubChem (CID 20828870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).