6-(4-chlorophenyl)-3,4-bis(phenylmethoxy)pyridazine

C24H19ClN2O2 — CID 71275895

IUPAC6-(4-chlorophenyl)-3,4-bis(phenylmethoxy)pyridazine
SMILESClc1ccc(-c2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)cc1
InChIInChI=1S/C24H19ClN2O2/c25-21-13-11-20(12-14-21)22-15-23(28-16-18-7-3-1-4-8-18)24(27-26-22)29-17-19-9-5-2-6-10-19/h1-15H,16-17H2
InChIKeyJPNDFPKHHHKTEJ-UHFFFAOYSA-N
MW402.88 g/mol
LogP5.95
Rot. Bonds7

About 6-(4-chlorophenyl)-3,4-bis(phenylmethoxy)pyridazine

6-(4-chlorophenyl)-3,4-bis(phenylmethoxy)pyridazine (PubChem CID 71275895) has the molecular formula C24H19ClN2O2 and a molecular weight of 402.88 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3,4-bis(phenylmethoxy)pyridazine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3,4-bis(phenylmethoxy)pyridazine
PubChem CID71275895
Molecular FormulaC24H19ClN2O2
Molecular Weight402.88 g/mol
Exact Mass402.11
IUPAC Name6-(4-chlorophenyl)-3,4-bis(phenylmethoxy)pyridazine
SMILESClc1ccc(-c2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)cc1
InChIInChI=1S/C24H19ClN2O2/c25-21-13-11-20(12-14-21)22-15-23(28-16-18-7-3-1-4-8-18)24(27-26-22)29-17-19-9-5-2-6-10-19/h1-15H,16-17H2
InChIKeyJPNDFPKHHHKTEJ-UHFFFAOYSA-N
XLogP5.95
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.88
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)pyridazine
CID 71270202
6-[2-(4-chlorophenyl)ethyl]-3,4-bis(phenylmethoxy)pyridazine
CID 71655736
6-(3-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71275863
6-(2-chloro-6-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71275876
6-(cyclohexen-1-yl)-3,4-bis(phenylmethoxy)pyridazine
CID 90239201
3,4-bis(phenylmethoxy)-6-prop-1-enylpyridazine
CID 123181647
6-(2-phenylethenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 89415006
6-(1-phenylethyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71655673
6-[2-(2,4-difluorophenyl)ethynyl]-3,4-bis(phenylmethoxy)pyridazine
CID 71270040
2-phenyl-4-phenylmethoxyquinoline
CID 14954067
6-[2-(4-fluorophenyl)ethynyl]-3,4-bis(phenylmethoxy)pyridazine
CID 71270241
2-(4-chlorophenyl)-4-[(4-chlorophenyl)methoxy]quinazoline
CID 23852658

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3,4-bis(phenylmethoxy)pyridazine?
The IUPAC name of 6-(4-chlorophenyl)-3,4-bis(phenylmethoxy)pyridazine (CID 71275895) is 6-(4-chlorophenyl)-3,4-bis(phenylmethoxy)pyridazine.
What is the SMILES notation for 6-(4-chlorophenyl)-3,4-bis(phenylmethoxy)pyridazine?
The canonical SMILES for 6-(4-chlorophenyl)-3,4-bis(phenylmethoxy)pyridazine is Clc1ccc(-c2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-3,4-bis(phenylmethoxy)pyridazine?
The InChIKey is JPNDFPKHHHKTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O2/c25-21-13-11-20(12-14-21)22-15-23(28-16-18-7-3-1-4-8-18)24(27-26-22)29-17-19-9-5-2-6-10-19/h1-15H,16-17H2.
What are the key properties of 6-(4-chlorophenyl)-3,4-bis(phenylmethoxy)pyridazine?
6-(4-chlorophenyl)-3,4-bis(phenylmethoxy)pyridazine has a molecular weight of 402.88 g/mol, XLogP of 5.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3,4-bis(phenylmethoxy)pyridazine is sourced from PubChem (CID 71275895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).