6-[2-(4-chlorophenyl)ethyl]-3,4-bis(phenylmethoxy)pyridazine

C26H23ClN2O2 — CID 71655736

IUPAC6-[2-(4-chlorophenyl)ethyl]-3,4-bis(phenylmethoxy)pyridazine
SMILESClc1ccc(CCc2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)cc1
InChIInChI=1S/C26H23ClN2O2/c27-23-14-11-20(12-15-23)13-16-24-17-25(30-18-21-7-3-1-4-8-21)26(29-28-24)31-19-22-9-5-2-6-10-22/h1-12,14-15,17H,13,16,18-19H2
InChIKeyCVESXXAGIMVNIR-UHFFFAOYSA-N
MW430.94 g/mol
LogP6.07
Rot. Bonds9

About 6-[2-(4-chlorophenyl)ethyl]-3,4-bis(phenylmethoxy)pyridazine

6-[2-(4-chlorophenyl)ethyl]-3,4-bis(phenylmethoxy)pyridazine (PubChem CID 71655736) has the molecular formula C26H23ClN2O2 and a molecular weight of 430.94 g/mol. Its IUPAC name is 6-[2-(4-chlorophenyl)ethyl]-3,4-bis(phenylmethoxy)pyridazine.

Molecular Properties

Compound Name6-[2-(4-chlorophenyl)ethyl]-3,4-bis(phenylmethoxy)pyridazine
PubChem CID71655736
Molecular FormulaC26H23ClN2O2
Molecular Weight430.94 g/mol
Exact Mass430.14
IUPAC Name6-[2-(4-chlorophenyl)ethyl]-3,4-bis(phenylmethoxy)pyridazine
SMILESClc1ccc(CCc2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)cc1
InChIInChI=1S/C26H23ClN2O2/c27-23-14-11-20(12-15-23)13-16-24-17-25(30-18-21-7-3-1-4-8-21)26(29-28-24)31-19-22-9-5-2-6-10-22/h1-12,14-15,17H,13,16,18-19H2
InChIKeyCVESXXAGIMVNIR-UHFFFAOYSA-N
XLogP6.07
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.94
LogP ≤ 56.07
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-(4-chlorophenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71275895
6-(2-chloro-6-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71275876
3,4-bis(phenylmethoxy)-6-prop-1-enylpyridazine
CID 123181647
N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyaniline
CID 54801504
4-[(4-chlorophenyl)methoxy]quinazoline
CID 55327565
6-(2-phenylethenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 89415006
1-[(4-chlorophenyl)methyl]-4-(2-phenylethyl)imidazole
CID 67751239
6-(cyclohexen-1-yl)-3,4-bis(phenylmethoxy)pyridazine
CID 90239201
6-(1-phenylethyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71655673
6-(3-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71275863
6-[2-(2,4-difluorophenyl)ethynyl]-3,4-bis(phenylmethoxy)pyridazine
CID 71270040

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-chlorophenyl)ethyl]-3,4-bis(phenylmethoxy)pyridazine?
The IUPAC name of 6-[2-(4-chlorophenyl)ethyl]-3,4-bis(phenylmethoxy)pyridazine (CID 71655736) is 6-[2-(4-chlorophenyl)ethyl]-3,4-bis(phenylmethoxy)pyridazine.
What is the SMILES notation for 6-[2-(4-chlorophenyl)ethyl]-3,4-bis(phenylmethoxy)pyridazine?
The canonical SMILES for 6-[2-(4-chlorophenyl)ethyl]-3,4-bis(phenylmethoxy)pyridazine is Clc1ccc(CCc2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)cc1.
What is the InChIKey of 6-[2-(4-chlorophenyl)ethyl]-3,4-bis(phenylmethoxy)pyridazine?
The InChIKey is CVESXXAGIMVNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O2/c27-23-14-11-20(12-15-23)13-16-24-17-25(30-18-21-7-3-1-4-8-21)26(29-28-24)31-19-22-9-5-2-6-10-22/h1-12,14-15,17H,13,16,18-19H2.
What are the key properties of 6-[2-(4-chlorophenyl)ethyl]-3,4-bis(phenylmethoxy)pyridazine?
6-[2-(4-chlorophenyl)ethyl]-3,4-bis(phenylmethoxy)pyridazine has a molecular weight of 430.94 g/mol, XLogP of 6.07, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-chlorophenyl)ethyl]-3,4-bis(phenylmethoxy)pyridazine is sourced from PubChem (CID 71655736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).