[4-methoxy-5,6-bis(4-methoxyphenyl)pyridazin-3-yl]phosphane

C19H19N2O3P — CID 54040837

IUPAC[4-methoxy-5,6-bis(4-methoxyphenyl)pyridazin-3-yl]phosphane
SMILESCOc1ccc(-c2nnc(P)c(OC)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H19N2O3P/c1-22-14-8-4-12(5-9-14)16-17(20-21-19(25)18(16)24-3)13-6-10-15(23-2)11-7-13/h4-11H,25H2,1-3H3
InChIKeyLMFIMUFYHSTNEZ-UHFFFAOYSA-N
MW354.35 g/mol
LogP3.34
Rot. Bonds5

About [4-methoxy-5,6-bis(4-methoxyphenyl)pyridazin-3-yl]phosphane

[4-methoxy-5,6-bis(4-methoxyphenyl)pyridazin-3-yl]phosphane (PubChem CID 54040837) has the molecular formula C19H19N2O3P and a molecular weight of 354.35 g/mol. Its IUPAC name is [4-methoxy-5,6-bis(4-methoxyphenyl)pyridazin-3-yl]phosphane.

Molecular Properties

Compound Name[4-methoxy-5,6-bis(4-methoxyphenyl)pyridazin-3-yl]phosphane
PubChem CID54040837
Molecular FormulaC19H19N2O3P
Molecular Weight354.35 g/mol
Exact Mass354.11
IUPAC Name[4-methoxy-5,6-bis(4-methoxyphenyl)pyridazin-3-yl]phosphane
SMILESCOc1ccc(-c2nnc(P)c(OC)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H19N2O3P/c1-22-14-8-4-12(5-9-14)16-17(20-21-19(25)18(16)24-3)13-6-10-15(23-2)11-7-13/h4-11H,25H2,1-3H3
InChIKeyLMFIMUFYHSTNEZ-UHFFFAOYSA-N
XLogP3.34
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-methoxy-5,6-bis(4-methoxyphenyl)pyridazin-3-yl]phosphane?
The IUPAC name of [4-methoxy-5,6-bis(4-methoxyphenyl)pyridazin-3-yl]phosphane (CID 54040837) is [4-methoxy-5,6-bis(4-methoxyphenyl)pyridazin-3-yl]phosphane.
What is the SMILES notation for [4-methoxy-5,6-bis(4-methoxyphenyl)pyridazin-3-yl]phosphane?
The canonical SMILES for [4-methoxy-5,6-bis(4-methoxyphenyl)pyridazin-3-yl]phosphane is COc1ccc(-c2nnc(P)c(OC)c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of [4-methoxy-5,6-bis(4-methoxyphenyl)pyridazin-3-yl]phosphane?
The InChIKey is LMFIMUFYHSTNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N2O3P/c1-22-14-8-4-12(5-9-14)16-17(20-21-19(25)18(16)24-3)13-6-10-15(23-2)11-7-13/h4-11H,25H2,1-3H3.
What are the key properties of [4-methoxy-5,6-bis(4-methoxyphenyl)pyridazin-3-yl]phosphane?
[4-methoxy-5,6-bis(4-methoxyphenyl)pyridazin-3-yl]phosphane has a molecular weight of 354.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-5,6-bis(4-methoxyphenyl)pyridazin-3-yl]phosphane is sourced from PubChem (CID 54040837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).