(2-ethyl-3H-inden-1-yl)-(4-methoxy-3,5-dimethylphenyl)methanone;tungsten(2+)

C21H21O2W+ — CID 23568972

IUPAC(2-ethyl-3H-inden-1-yl)-(4-methoxy-3,5-dimethylphenyl)methanone;tungsten(2+)
SMILES[CH2-]CC1=C(C(=O)c2cc(C)c(OC)c(C)c2)c2ccccc2C1.[W+2]
InChIInChI=1S/C21H21O2.W/c1-5-15-12-16-8-6-7-9-18(16)19(15)20(22)17-10-13(2)21(23-4)14(3)11-17;/h6-11H,1,5,12H2,2-4H3;/q-1;+2
InChIKeyLBJWNJJNYNVJHO-UHFFFAOYSA-N
MW489.24 g/mol
LogP4.73
Rot. Bonds4

About (2-ethyl-3H-inden-1-yl)-(4-methoxy-3,5-dimethylphenyl)methanone;tungsten(2+)

(2-ethyl-3H-inden-1-yl)-(4-methoxy-3,5-dimethylphenyl)methanone;tungsten(2+) (PubChem CID 23568972) has the molecular formula C21H21O2W+ and a molecular weight of 489.24 g/mol. Its IUPAC name is (2-ethyl-3H-inden-1-yl)-(4-methoxy-3,5-dimethylphenyl)methanone;tungsten(2+).

Molecular Properties

Compound Name(2-ethyl-3H-inden-1-yl)-(4-methoxy-3,5-dimethylphenyl)methanone;tungsten(2+)
PubChem CID23568972
Molecular FormulaC21H21O2W+
Molecular Weight489.24 g/mol
Exact Mass489.10
IUPAC Name(2-ethyl-3H-inden-1-yl)-(4-methoxy-3,5-dimethylphenyl)methanone;tungsten(2+)
SMILES[CH2-]CC1=C(C(=O)c2cc(C)c(OC)c(C)c2)c2ccccc2C1.[W+2]
InChIInChI=1S/C21H21O2.W/c1-5-15-12-16-8-6-7-9-18(16)19(15)20(22)17-10-13(2)21(23-4)14(3)11-17;/h6-11H,1,5,12H2,2-4H3;/q-1;+2
InChIKeyLBJWNJJNYNVJHO-UHFFFAOYSA-N
XLogP4.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.24
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethyl-3H-inden-1-yl)-(4-methoxy-3,5-dimethylphenyl)methanone;tungsten(2+)?
The IUPAC name of (2-ethyl-3H-inden-1-yl)-(4-methoxy-3,5-dimethylphenyl)methanone;tungsten(2+) (CID 23568972) is (2-ethyl-3H-inden-1-yl)-(4-methoxy-3,5-dimethylphenyl)methanone;tungsten(2+).
What is the SMILES notation for (2-ethyl-3H-inden-1-yl)-(4-methoxy-3,5-dimethylphenyl)methanone;tungsten(2+)?
The canonical SMILES for (2-ethyl-3H-inden-1-yl)-(4-methoxy-3,5-dimethylphenyl)methanone;tungsten(2+) is [CH2-]CC1=C(C(=O)c2cc(C)c(OC)c(C)c2)c2ccccc2C1.[W+2].
What is the InChIKey of (2-ethyl-3H-inden-1-yl)-(4-methoxy-3,5-dimethylphenyl)methanone;tungsten(2+)?
The InChIKey is LBJWNJJNYNVJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21O2.W/c1-5-15-12-16-8-6-7-9-18(16)19(15)20(22)17-10-13(2)21(23-4)14(3)11-17;/h6-11H,1,5,12H2,2-4H3;/q-1;+2.
What are the key properties of (2-ethyl-3H-inden-1-yl)-(4-methoxy-3,5-dimethylphenyl)methanone;tungsten(2+)?
(2-ethyl-3H-inden-1-yl)-(4-methoxy-3,5-dimethylphenyl)methanone;tungsten(2+) has a molecular weight of 489.24 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-3H-inden-1-yl)-(4-methoxy-3,5-dimethylphenyl)methanone;tungsten(2+) is sourced from PubChem (CID 23568972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).