4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-bis(4-methylphenyl)pyridazine

C26H22N2O2 — CID 18874646

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-bis(4-methylphenyl)pyridazine
SMILESCc1ccc(-c2cc(-c3ccc4c(c3)OCCO4)c(-c3ccc(C)cc3)nn2)cc1
InChIInChI=1S/C26H22N2O2/c1-17-3-7-19(8-4-17)23-16-22(21-11-12-24-25(15-21)30-14-13-29-24)26(28-27-23)20-9-5-18(2)6-10-20/h3-12,15-16H,13-14H2,1-2H3
InChIKeyKHKYOWJNPHNKIQ-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.87
Rot. Bonds3

About 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-bis(4-methylphenyl)pyridazine

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-bis(4-methylphenyl)pyridazine (PubChem CID 18874646) has the molecular formula C26H22N2O2 and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-bis(4-methylphenyl)pyridazine.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-bis(4-methylphenyl)pyridazine
PubChem CID18874646
Molecular FormulaC26H22N2O2
Molecular Weight394.47 g/mol
Exact Mass394.17
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-bis(4-methylphenyl)pyridazine
SMILESCc1ccc(-c2cc(-c3ccc4c(c3)OCCO4)c(-c3ccc(C)cc3)nn2)cc1
InChIInChI=1S/C26H22N2O2/c1-17-3-7-19(8-4-17)23-16-22(21-11-12-24-25(15-21)30-14-13-29-24)26(28-27-23)20-9-5-18(2)6-10-20/h3-12,15-16H,13-14H2,1-2H3
InChIKeyKHKYOWJNPHNKIQ-UHFFFAOYSA-N
XLogP5.87
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylaniline
CID 82766369
6-[chloro-(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 61086135
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-iodo-1,3,4-thiadiazole
CID 63384144
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-oxazole
CID 82127137
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyridine
CID 90367961
14,30-dimethyl-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene
CID 90365748
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine
CID 116903863
6-(2-bromo-3-methylphenyl)-2,3-dihydro-1,4-benzodioxine
CID 138488049
20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
CID 101436486
17-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 23636185
6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-1,2,4-triazin-5-amine
CID 116823432
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine
CID 43557784

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-bis(4-methylphenyl)pyridazine?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-bis(4-methylphenyl)pyridazine (CID 18874646) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-bis(4-methylphenyl)pyridazine.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-bis(4-methylphenyl)pyridazine?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-bis(4-methylphenyl)pyridazine is Cc1ccc(-c2cc(-c3ccc4c(c3)OCCO4)c(-c3ccc(C)cc3)nn2)cc1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-bis(4-methylphenyl)pyridazine?
The InChIKey is KHKYOWJNPHNKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O2/c1-17-3-7-19(8-4-17)23-16-22(21-11-12-24-25(15-21)30-14-13-29-24)26(28-27-23)20-9-5-18(2)6-10-20/h3-12,15-16H,13-14H2,1-2H3.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-bis(4-methylphenyl)pyridazine?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-bis(4-methylphenyl)pyridazine has a molecular weight of 394.47 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-bis(4-methylphenyl)pyridazine is sourced from PubChem (CID 18874646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).