4-(2,6-diethyl-4-methylphenyl)-2,6-dimethyl-5-phenoxypyridazin-3-one

C23H26N2O2 — CID 66695552

IUPAC4-(2,6-diethyl-4-methylphenyl)-2,6-dimethyl-5-phenoxypyridazin-3-one
SMILESCCc1cc(C)cc(CC)c1-c1c(Oc2ccccc2)c(C)nn(C)c1=O
InChIInChI=1S/C23H26N2O2/c1-6-17-13-15(3)14-18(7-2)20(17)21-22(16(4)24-25(5)23(21)26)27-19-11-9-8-10-12-19/h8-14H,6-7H2,1-5H3
InChIKeyBOEJFJBQTDTLFQ-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.98
Rot. Bonds5

About 4-(2,6-diethyl-4-methylphenyl)-2,6-dimethyl-5-phenoxypyridazin-3-one

4-(2,6-diethyl-4-methylphenyl)-2,6-dimethyl-5-phenoxypyridazin-3-one (PubChem CID 66695552) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-(2,6-diethyl-4-methylphenyl)-2,6-dimethyl-5-phenoxypyridazin-3-one.

Molecular Properties

Compound Name4-(2,6-diethyl-4-methylphenyl)-2,6-dimethyl-5-phenoxypyridazin-3-one
PubChem CID66695552
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name4-(2,6-diethyl-4-methylphenyl)-2,6-dimethyl-5-phenoxypyridazin-3-one
SMILESCCc1cc(C)cc(CC)c1-c1c(Oc2ccccc2)c(C)nn(C)c1=O
InChIInChI=1S/C23H26N2O2/c1-6-17-13-15(3)14-18(7-2)20(17)21-22(16(4)24-25(5)23(21)26)27-19-11-9-8-10-12-19/h8-14H,6-7H2,1-5H3
InChIKeyBOEJFJBQTDTLFQ-UHFFFAOYSA-N
XLogP4.98
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-diethyl-4-methylphenyl)-2,6-dimethyl-5-phenoxypyridazin-3-one?
The IUPAC name of 4-(2,6-diethyl-4-methylphenyl)-2,6-dimethyl-5-phenoxypyridazin-3-one (CID 66695552) is 4-(2,6-diethyl-4-methylphenyl)-2,6-dimethyl-5-phenoxypyridazin-3-one.
What is the SMILES notation for 4-(2,6-diethyl-4-methylphenyl)-2,6-dimethyl-5-phenoxypyridazin-3-one?
The canonical SMILES for 4-(2,6-diethyl-4-methylphenyl)-2,6-dimethyl-5-phenoxypyridazin-3-one is CCc1cc(C)cc(CC)c1-c1c(Oc2ccccc2)c(C)nn(C)c1=O.
What is the InChIKey of 4-(2,6-diethyl-4-methylphenyl)-2,6-dimethyl-5-phenoxypyridazin-3-one?
The InChIKey is BOEJFJBQTDTLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-6-17-13-15(3)14-18(7-2)20(17)21-22(16(4)24-25(5)23(21)26)27-19-11-9-8-10-12-19/h8-14H,6-7H2,1-5H3.
What are the key properties of 4-(2,6-diethyl-4-methylphenyl)-2,6-dimethyl-5-phenoxypyridazin-3-one?
4-(2,6-diethyl-4-methylphenyl)-2,6-dimethyl-5-phenoxypyridazin-3-one has a molecular weight of 362.47 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-diethyl-4-methylphenyl)-2,6-dimethyl-5-phenoxypyridazin-3-one is sourced from PubChem (CID 66695552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).