1-methoxy-2-phenylmethoxybenzene-4-ide;2-phenyl-1,2,4-triazine-3,5-dione;tungsten(2+)

C23H19N3O4W — CID 20822955

IUPAC1-methoxy-2-phenylmethoxybenzene-4-ide;2-phenyl-1,2,4-triazine-3,5-dione;tungsten(2+)
SMILESCOc1cc[c-]cc1OCc1ccccc1.O=c1cnn(-c2cc[c-]cc2)c(=O)[nH]1.[W+2]
InChIInChI=1S/C14H13O2.C9H6N3O2.W/c1-15-13-9-5-6-10-14(13)16-11-12-7-3-2-4-8-12;13-8-6-10-12(9(14)11-8)7-4-2-1-3-5-7;/h2-5,7-10H,11H2,1H3;2-6H,(H,11,13,14);/q2*-1;+2
InChIKeyXDCRMIWBCIHNAX-UHFFFAOYSA-N
MW585.26 g/mol
LogP2.79
Rot. Bonds5

About 1-methoxy-2-phenylmethoxybenzene-4-ide;2-phenyl-1,2,4-triazine-3,5-dione;tungsten(2+)

1-methoxy-2-phenylmethoxybenzene-4-ide;2-phenyl-1,2,4-triazine-3,5-dione;tungsten(2+) (PubChem CID 20822955) has the molecular formula C23H19N3O4W and a molecular weight of 585.26 g/mol. Its IUPAC name is 1-methoxy-2-phenylmethoxybenzene-4-ide;2-phenyl-1,2,4-triazine-3,5-dione;tungsten(2+).

Molecular Properties

Compound Name1-methoxy-2-phenylmethoxybenzene-4-ide;2-phenyl-1,2,4-triazine-3,5-dione;tungsten(2+)
PubChem CID20822955
Molecular FormulaC23H19N3O4W
Molecular Weight585.26 g/mol
Exact Mass585.09
IUPAC Name1-methoxy-2-phenylmethoxybenzene-4-ide;2-phenyl-1,2,4-triazine-3,5-dione;tungsten(2+)
SMILESCOc1cc[c-]cc1OCc1ccccc1.O=c1cnn(-c2cc[c-]cc2)c(=O)[nH]1.[W+2]
InChIInChI=1S/C14H13O2.C9H6N3O2.W/c1-15-13-9-5-6-10-14(13)16-11-12-7-3-2-4-8-12;13-8-6-10-12(9(14)11-8)7-4-2-1-3-5-7;/h2-5,7-10H,11H2,1H3;2-6H,(H,11,13,14);/q2*-1;+2
InChIKeyXDCRMIWBCIHNAX-UHFFFAOYSA-N
XLogP2.79
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.26
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-methoxy-2-phenylmethoxybenzene-4-ide;2-phenyl-1,2,4-triazine-3,5-dione;tungsten(2+) with MolForge

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Related Compounds

2-methoxybenzene-5-ide-1-carbaldehyde;2-phenyl-1,2,4-triazine-3,5-dione;tungsten(2+)
CID 20822967
zinc;1-methoxy-2-phenylmethoxybenzene-5-ide;bromide
CID 87388924
5-butyl-2-(4-phenylmethoxyphenyl)-4H-1,2,4-triazol-3-one
CID 135720083
1-ethyl-5-(3-methoxy-4-phenylmethoxyphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135768542
2-[4-(3-amino-4-methoxyphenoxy)-3,5-dichlorophenyl]-1,2,4-triazine-3,5-dione
CID 22339553
4-(4-methoxy-3-phenylmethoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584640
magnesium;1-fluoro-2-phenylmethoxybenzene-4-ide;bromide
CID 91656298
1-(3-chloro-4-methoxyphenyl)-4-phenylmethoxyindazole
CID 59272957
8-phenylmethoxy-1H-pyrido[2,3-b]pyrazin-2-one
CID 68606557
4-chloro-5-methoxy-2-(phenylmethoxymethyl)pyridazin-3-one
CID 90288515
(4-methoxy-3-phenylmethoxyphenyl)carbamic acid
CID 155170089
6-[methyl(phenylmethoxy)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137276018

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-phenylmethoxybenzene-4-ide;2-phenyl-1,2,4-triazine-3,5-dione;tungsten(2+)?
The IUPAC name of 1-methoxy-2-phenylmethoxybenzene-4-ide;2-phenyl-1,2,4-triazine-3,5-dione;tungsten(2+) (CID 20822955) is 1-methoxy-2-phenylmethoxybenzene-4-ide;2-phenyl-1,2,4-triazine-3,5-dione;tungsten(2+).
What is the SMILES notation for 1-methoxy-2-phenylmethoxybenzene-4-ide;2-phenyl-1,2,4-triazine-3,5-dione;tungsten(2+)?
The canonical SMILES for 1-methoxy-2-phenylmethoxybenzene-4-ide;2-phenyl-1,2,4-triazine-3,5-dione;tungsten(2+) is COc1cc[c-]cc1OCc1ccccc1.O=c1cnn(-c2cc[c-]cc2)c(=O)[nH]1.[W+2].
What is the InChIKey of 1-methoxy-2-phenylmethoxybenzene-4-ide;2-phenyl-1,2,4-triazine-3,5-dione;tungsten(2+)?
The InChIKey is XDCRMIWBCIHNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13O2.C9H6N3O2.W/c1-15-13-9-5-6-10-14(13)16-11-12-7-3-2-4-8-12;13-8-6-10-12(9(14)11-8)7-4-2-1-3-5-7;/h2-5,7-10H,11H2,1H3;2-6H,(H,11,13,14);/q2*-1;+2.
What are the key properties of 1-methoxy-2-phenylmethoxybenzene-4-ide;2-phenyl-1,2,4-triazine-3,5-dione;tungsten(2+)?
1-methoxy-2-phenylmethoxybenzene-4-ide;2-phenyl-1,2,4-triazine-3,5-dione;tungsten(2+) has a molecular weight of 585.26 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-phenylmethoxybenzene-4-ide;2-phenyl-1,2,4-triazine-3,5-dione;tungsten(2+) is sourced from PubChem (CID 20822955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).