3-tert-butyl-8-methoxy-5,5-dimethylchromeno[4,3-c]pyridazine

C18H22N2O2 — CID 59774480

IUPAC3-tert-butyl-8-methoxy-5,5-dimethylchromeno[4,3-c]pyridazine
SMILESCOc1ccc2c(c1)OC(C)(C)c1cc(C(C)(C)C)nnc1-2
InChIInChI=1S/C18H22N2O2/c1-17(2,3)15-10-13-16(20-19-15)12-8-7-11(21-6)9-14(12)22-18(13,4)5/h7-10H,1-6H3
InChIKeyFHLQIVNEPYMAKN-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.08
Rot. Bonds1

About 3-tert-butyl-8-methoxy-5,5-dimethylchromeno[4,3-c]pyridazine

3-tert-butyl-8-methoxy-5,5-dimethylchromeno[4,3-c]pyridazine (PubChem CID 59774480) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-tert-butyl-8-methoxy-5,5-dimethylchromeno[4,3-c]pyridazine.

Molecular Properties

Compound Name3-tert-butyl-8-methoxy-5,5-dimethylchromeno[4,3-c]pyridazine
PubChem CID59774480
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-tert-butyl-8-methoxy-5,5-dimethylchromeno[4,3-c]pyridazine
SMILESCOc1ccc2c(c1)OC(C)(C)c1cc(C(C)(C)C)nnc1-2
InChIInChI=1S/C18H22N2O2/c1-17(2,3)15-10-13-16(20-19-15)12-8-7-11(21-6)9-14(12)22-18(13,4)5/h7-10H,1-6H3
InChIKeyFHLQIVNEPYMAKN-UHFFFAOYSA-N
XLogP4.08
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-13-methoxy-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene
CID 59295630
5-methoxy-9,9-dimethyl-8-oxa-11,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2(7),3,5,10,12(17),13,15-octaene
CID 15627316
1-(2-bromoethyl)-7-methoxy-4,4-dimethylchromeno[3,4-d]pyrazole
CID 122678316
7-methoxy-4,4-dimethyl-1-phenylchromeno[3,4-d]pyrazole
CID 24813149
3,7-dimethoxy-2,2-dimethylchromene
CID 70516159
2,2-dibromo-6-methoxy-1-benzofuran-3-one
CID 5325532
3,7-dimethoxy-2,2-dimethyl-3H-chromen-4-one
CID 70492081
7-methoxy-2,2-dimethylchromene-4-carbaldehyde
CID 11042200
[7-methoxy-2,2-dimethyl-3-(2-methylcyclohexa-1,5-dien-1-yl)chromen-4-yl] acetate
CID 177232412
[3,5-bis[hydroxy-(7-methoxy-2,2-dimethylchromen-4-yl)methyl]phenyl]-(7-methoxy-2,2-dimethylchromen-4-yl)methanol
CID 101388688
(2S)-6-methoxy-2-[(2R)-6-methoxy-3-oxo-2-phenyl-1-benzofuran-2-yl]-2-phenyl-1-benzofuran-3-one
CID 11826912
3'-tert-butyl-6'-hydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;3'-tert-butyl-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one;methane
CID 158761491

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-8-methoxy-5,5-dimethylchromeno[4,3-c]pyridazine?
The IUPAC name of 3-tert-butyl-8-methoxy-5,5-dimethylchromeno[4,3-c]pyridazine (CID 59774480) is 3-tert-butyl-8-methoxy-5,5-dimethylchromeno[4,3-c]pyridazine.
What is the SMILES notation for 3-tert-butyl-8-methoxy-5,5-dimethylchromeno[4,3-c]pyridazine?
The canonical SMILES for 3-tert-butyl-8-methoxy-5,5-dimethylchromeno[4,3-c]pyridazine is COc1ccc2c(c1)OC(C)(C)c1cc(C(C)(C)C)nnc1-2.
What is the InChIKey of 3-tert-butyl-8-methoxy-5,5-dimethylchromeno[4,3-c]pyridazine?
The InChIKey is FHLQIVNEPYMAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-17(2,3)15-10-13-16(20-19-15)12-8-7-11(21-6)9-14(12)22-18(13,4)5/h7-10H,1-6H3.
What are the key properties of 3-tert-butyl-8-methoxy-5,5-dimethylchromeno[4,3-c]pyridazine?
3-tert-butyl-8-methoxy-5,5-dimethylchromeno[4,3-c]pyridazine has a molecular weight of 298.39 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-8-methoxy-5,5-dimethylchromeno[4,3-c]pyridazine is sourced from PubChem (CID 59774480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).