6-[(4-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)pyridazine

C25H21ClN2O2 — CID 71270202

IUPAC6-[(4-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)pyridazine
SMILESClc1ccc(Cc2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)cc1
InChIInChI=1S/C25H21ClN2O2/c26-22-13-11-19(12-14-22)15-23-16-24(29-17-20-7-3-1-4-8-20)25(28-27-23)30-18-21-9-5-2-6-10-21/h1-14,16H,15,17-18H2
InChIKeyOAFCAGXBZAZCSF-UHFFFAOYSA-N
MW416.91 g/mol
LogP5.88
Rot. Bonds8

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

6-[(4-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)pyridazine (PubChem CID 71270202) has the molecular formula C25H21ClN2O2 and a molecular weight of 416.91 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)pyridazine.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)pyridazine
PubChem CID71270202
Molecular FormulaC25H21ClN2O2
Molecular Weight416.91 g/mol
Exact Mass416.13
IUPAC Name6-[(4-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)pyridazine
SMILESClc1ccc(Cc2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)cc1
InChIInChI=1S/C25H21ClN2O2/c26-22-13-11-19(12-14-22)15-23-16-24(29-17-20-7-3-1-4-8-20)25(28-27-23)30-18-21-9-5-2-6-10-21/h1-14,16H,15,17-18H2
InChIKeyOAFCAGXBZAZCSF-UHFFFAOYSA-N
XLogP5.88
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.91
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(4-chlorophenyl)ethyl]-3,4-bis(phenylmethoxy)pyridazine
CID 71655736
6-(4-chlorophenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71275895
6-(2-chloro-6-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71275876
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540
6-(1-phenylethyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71655673
3,4-bis(phenylmethoxy)-6-prop-1-enylpyridazine
CID 123181647
6-(2-phenylethenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 89415006
6-(cyclohexen-1-yl)-3,4-bis(phenylmethoxy)pyridazine
CID 90239201
3,4-bis(phenylmethoxy)-6-(2-propan-2-ylsulfanylethynyl)pyridazine
CID 118518142
6-(3-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71275863
2-[(4-chlorophenyl)methyl]-1,3-dimethyl-5-phenylmethoxybenzene
CID 68866864
3-amino-4-benzyl-5-[(4-chlorophenyl)methoxy]benzoic acid
CID 21440173

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)pyridazine?
The IUPAC name of 6-[(4-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)pyridazine (CID 71270202) is 6-[(4-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)pyridazine.
What is the SMILES notation for 6-[(4-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)pyridazine?
The canonical SMILES for 6-[(4-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)pyridazine is Clc1ccc(Cc2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)cc1.
What is the InChIKey of 6-[(4-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)pyridazine?
The InChIKey is OAFCAGXBZAZCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O2/c26-22-13-11-19(12-14-22)15-23-16-24(29-17-20-7-3-1-4-8-20)25(28-27-23)30-18-21-9-5-2-6-10-21/h1-14,16H,15,17-18H2.
What are the key properties of 6-[(4-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)pyridazine?
6-[(4-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)pyridazine has a molecular weight of 416.91 g/mol, XLogP of 5.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)pyridazine is sourced from PubChem (CID 71270202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).