3-(4-butoxyphenyl)-6-octan-2-ylpyridazine;3-(4-heptoxyphenyl)-6-octan-2-ylpyridazine;3-(4-hexoxyphenyl)-6-octan-2-ylpyridazine;3-octan-2-yl-6-(4-octoxyphenyl)pyridazine;3-octan-2-yl-6-(4-pentoxyphenyl)pyridazine

C120H180N10O5 — CID 173405543

IUPAC3-(4-butoxyphenyl)-6-octan-2-ylpyridazine;3-(4-heptoxyphenyl)-6-octan-2-ylpyridazine;3-(4-hexoxyphenyl)-6-octan-2-ylpyridazine;3-octan-2-yl-6-(4-octoxyphenyl)pyridazine;3-octan-2-yl-6-(4-pentoxyphenyl)pyridazine
SMILESCCCCCCC(C)c1ccc(-c2ccc(OCCCC)cc2)nn1.CCCCCCC(C)c1ccc(-c2ccc(OCCCCC)cc2)nn1.CCCCCCCCOc1ccc(-c2ccc(C(C)CCCCCC)nn2)cc1.CCCCCCCOc1ccc(-c2ccc(C(C)CCCCCC)nn2)cc1.CCCCCCOc1ccc(-c2ccc(C(C)CCCCCC)nn2)cc1
InChIInChI=1S/C26H40N2O.C25H38N2O.C24H36N2O.C23H34N2O.C22H32N2O/c1-4-6-8-10-11-13-21-29-24-17-15-23(16-18-24)26-20-19-25(27-28-26)22(3)14-12-9-7-5-2;1-4-6-8-10-12-20-28-23-16-14-22(15-17-23)25-19-18-24(26-27-25)21(3)13-11-9-7-5-2;1-4-6-8-10-12-20(3)23-17-18-24(26-25-23)21-13-15-22(16-14-21)27-19-11-9-7-5-2;1-4-6-8-9-11-19(3)22-16-17-23(25-24-22)20-12-14-21(15-13-20)26-18-10-7-5-2;1-4-6-8-9-10-18(3)21-15-16-22(24-23-21)19-11-13-20(14-12-19)25-17-7-5-2/h15-20,22H,4-14,21H2,1-3H3;14-19,21H,4-13,20H2,1-3H3;13-18,20H,4-12,19H2,1-3H3;12-17,19H,4-11,18H2,1-3H3;11-16,18H,4-10,17H2,1-3H3
InChIKeyAQOZRMOZDGJBEK-UHFFFAOYSA-N
MW1842.82 g/mol
LogP35.88
Rot. Bonds65

About 3-(4-butoxyphenyl)-6-octan-2-ylpyridazine;3-(4-heptoxyphenyl)-6-octan-2-ylpyridazine;3-(4-hexoxyphenyl)-6-octan-2-ylpyridazine;3-octan-2-yl-6-(4-octoxyphenyl)pyridazine;3-octan-2-yl-6-(4-pentoxyphenyl)pyridazine

3-(4-butoxyphenyl)-6-octan-2-ylpyridazine;3-(4-heptoxyphenyl)-6-octan-2-ylpyridazine;3-(4-hexoxyphenyl)-6-octan-2-ylpyridazine;3-octan-2-yl-6-(4-octoxyphenyl)pyridazine;3-octan-2-yl-6-(4-pentoxyphenyl)pyridazine (PubChem CID 173405543) has the molecular formula C120H180N10O5 and a molecular weight of 1842.82 g/mol. Its IUPAC name is 3-(4-butoxyphenyl)-6-octan-2-ylpyridazine;3-(4-heptoxyphenyl)-6-octan-2-ylpyridazine;3-(4-hexoxyphenyl)-6-octan-2-ylpyridazine;3-octan-2-yl-6-(4-octoxyphenyl)pyridazine;3-octan-2-yl-6-(4-pentoxyphenyl)pyridazine.

Molecular Properties

Compound Name3-(4-butoxyphenyl)-6-octan-2-ylpyridazine;3-(4-heptoxyphenyl)-6-octan-2-ylpyridazine;3-(4-hexoxyphenyl)-6-octan-2-ylpyridazine;3-octan-2-yl-6-(4-octoxyphenyl)pyridazine;3-octan-2-yl-6-(4-pentoxyphenyl)pyridazine
PubChem CID173405543
Molecular FormulaC120H180N10O5
Molecular Weight1842.82 g/mol
Exact Mass1841.41
IUPAC Name3-(4-butoxyphenyl)-6-octan-2-ylpyridazine;3-(4-heptoxyphenyl)-6-octan-2-ylpyridazine;3-(4-hexoxyphenyl)-6-octan-2-ylpyridazine;3-octan-2-yl-6-(4-octoxyphenyl)pyridazine;3-octan-2-yl-6-(4-pentoxyphenyl)pyridazine
SMILESCCCCCCC(C)c1ccc(-c2ccc(OCCCC)cc2)nn1.CCCCCCC(C)c1ccc(-c2ccc(OCCCCC)cc2)nn1.CCCCCCCCOc1ccc(-c2ccc(C(C)CCCCCC)nn2)cc1.CCCCCCCOc1ccc(-c2ccc(C(C)CCCCCC)nn2)cc1.CCCCCCOc1ccc(-c2ccc(C(C)CCCCCC)nn2)cc1
InChIInChI=1S/C26H40N2O.C25H38N2O.C24H36N2O.C23H34N2O.C22H32N2O/c1-4-6-8-10-11-13-21-29-24-17-15-23(16-18-24)26-20-19-25(27-28-26)22(3)14-12-9-7-5-2;1-4-6-8-10-12-20-28-23-16-14-22(15-17-23)25-19-18-24(26-27-25)21(3)13-11-9-7-5-2;1-4-6-8-10-12-20(3)23-17-18-24(26-25-23)21-13-15-22(16-14-21)27-19-11-9-7-5-2;1-4-6-8-9-11-19(3)22-16-17-23(25-24-22)20-12-14-21(15-13-20)26-18-10-7-5-2;1-4-6-8-9-10-18(3)21-15-16-22(24-23-21)19-11-13-20(14-12-19)25-17-7-5-2/h15-20,22H,4-14,21H2,1-3H3;14-19,21H,4-13,20H2,1-3H3;13-18,20H,4-12,19H2,1-3H3;12-17,19H,4-11,18H2,1-3H3;11-16,18H,4-10,17H2,1-3H3
InChIKeyAQOZRMOZDGJBEK-UHFFFAOYSA-N
XLogP35.88
TPSA175.05 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds65
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001842.82
LogP ≤ 535.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 3-(4-butoxyphenyl)-6-octan-2-ylpyridazine;3-(4-heptoxyphenyl)-6-octan-2-ylpyridazine;3-(4-hexoxyphenyl)-6-octan-2-ylpyridazine;3-octan-2-yl-6-(4-octoxyphenyl)pyridazine;3-octan-2-yl-6-(4-pentoxyphenyl)pyridazine with MolForge

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Related Compounds

3,6-bis(4-decoxyphenyl)pyridazine
CID 101171713
4-heptan-2-yl-2-(4-heptoxyphenyl)pyrimidine
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CID 70427294
3-[4-[2-(4-decoxyphenyl)ethynyl]phenyl]-6-dodecoxypyridazine
CID 101460428
2,5-bis(4-hexoxyphenyl)pyrazine
CID 86183417
3-(4-heptoxyphenyl)-6-[(2R)-2-hexoxypropoxy]pyridazine
CID 18645450
1-decoxy-4-[4-(6-methyloctoxy)phenyl]benzene
CID 67920503
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
2-(4-dodecoxyphenyl)-5-[(2S)-octan-2-yl]oxypyrazine
CID 14365796
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659

Frequently Asked Questions

What is the IUPAC name of 3-(4-butoxyphenyl)-6-octan-2-ylpyridazine;3-(4-heptoxyphenyl)-6-octan-2-ylpyridazine;3-(4-hexoxyphenyl)-6-octan-2-ylpyridazine;3-octan-2-yl-6-(4-octoxyphenyl)pyridazine;3-octan-2-yl-6-(4-pentoxyphenyl)pyridazine?
The IUPAC name of 3-(4-butoxyphenyl)-6-octan-2-ylpyridazine;3-(4-heptoxyphenyl)-6-octan-2-ylpyridazine;3-(4-hexoxyphenyl)-6-octan-2-ylpyridazine;3-octan-2-yl-6-(4-octoxyphenyl)pyridazine;3-octan-2-yl-6-(4-pentoxyphenyl)pyridazine (CID 173405543) is 3-(4-butoxyphenyl)-6-octan-2-ylpyridazine;3-(4-heptoxyphenyl)-6-octan-2-ylpyridazine;3-(4-hexoxyphenyl)-6-octan-2-ylpyridazine;3-octan-2-yl-6-(4-octoxyphenyl)pyridazine;3-octan-2-yl-6-(4-pentoxyphenyl)pyridazine.
What is the SMILES notation for 3-(4-butoxyphenyl)-6-octan-2-ylpyridazine;3-(4-heptoxyphenyl)-6-octan-2-ylpyridazine;3-(4-hexoxyphenyl)-6-octan-2-ylpyridazine;3-octan-2-yl-6-(4-octoxyphenyl)pyridazine;3-octan-2-yl-6-(4-pentoxyphenyl)pyridazine?
The canonical SMILES for 3-(4-butoxyphenyl)-6-octan-2-ylpyridazine;3-(4-heptoxyphenyl)-6-octan-2-ylpyridazine;3-(4-hexoxyphenyl)-6-octan-2-ylpyridazine;3-octan-2-yl-6-(4-octoxyphenyl)pyridazine;3-octan-2-yl-6-(4-pentoxyphenyl)pyridazine is CCCCCCC(C)c1ccc(-c2ccc(OCCCC)cc2)nn1.CCCCCCC(C)c1ccc(-c2ccc(OCCCCC)cc2)nn1.CCCCCCCCOc1ccc(-c2ccc(C(C)CCCCCC)nn2)cc1.CCCCCCCOc1ccc(-c2ccc(C(C)CCCCCC)nn2)cc1.CCCCCCOc1ccc(-c2ccc(C(C)CCCCCC)nn2)cc1.
What is the InChIKey of 3-(4-butoxyphenyl)-6-octan-2-ylpyridazine;3-(4-heptoxyphenyl)-6-octan-2-ylpyridazine;3-(4-hexoxyphenyl)-6-octan-2-ylpyridazine;3-octan-2-yl-6-(4-octoxyphenyl)pyridazine;3-octan-2-yl-6-(4-pentoxyphenyl)pyridazine?
The InChIKey is AQOZRMOZDGJBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O.C25H38N2O.C24H36N2O.C23H34N2O.C22H32N2O/c1-4-6-8-10-11-13-21-29-24-17-15-23(16-18-24)26-20-19-25(27-28-26)22(3)14-12-9-7-5-2;1-4-6-8-10-12-20-28-23-16-14-22(15-17-23)25-19-18-24(26-27-25)21(3)13-11-9-7-5-2;1-4-6-8-10-12-20(3)23-17-18-24(26-25-23)21-13-15-22(16-14-21)27-19-11-9-7-5-2;1-4-6-8-9-11-19(3)22-16-17-23(25-24-22)20-12-14-21(15-13-20)26-18-10-7-5-2;1-4-6-8-9-10-18(3)21-15-16-22(24-23-21)19-11-13-20(14-12-19)25-17-7-5-2/h15-20,22H,4-14,21H2,1-3H3;14-19,21H,4-13,20H2,1-3H3;13-18,20H,4-12,19H2,1-3H3;12-17,19H,4-11,18H2,1-3H3;11-16,18H,4-10,17H2,1-3H3.
What are the key properties of 3-(4-butoxyphenyl)-6-octan-2-ylpyridazine;3-(4-heptoxyphenyl)-6-octan-2-ylpyridazine;3-(4-hexoxyphenyl)-6-octan-2-ylpyridazine;3-octan-2-yl-6-(4-octoxyphenyl)pyridazine;3-octan-2-yl-6-(4-pentoxyphenyl)pyridazine?
3-(4-butoxyphenyl)-6-octan-2-ylpyridazine;3-(4-heptoxyphenyl)-6-octan-2-ylpyridazine;3-(4-hexoxyphenyl)-6-octan-2-ylpyridazine;3-octan-2-yl-6-(4-octoxyphenyl)pyridazine;3-octan-2-yl-6-(4-pentoxyphenyl)pyridazine has a molecular weight of 1842.82 g/mol, XLogP of 35.88, 65 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butoxyphenyl)-6-octan-2-ylpyridazine;3-(4-heptoxyphenyl)-6-octan-2-ylpyridazine;3-(4-hexoxyphenyl)-6-octan-2-ylpyridazine;3-octan-2-yl-6-(4-octoxyphenyl)pyridazine;3-octan-2-yl-6-(4-pentoxyphenyl)pyridazine is sourced from PubChem (CID 173405543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).