6-(2,6-dichloro-4-pentan-3-ylphenoxy)-2-methyl-4-propan-2-ylpyridazin-3-one

C19H24Cl2N2O2 — CID 146404609

IUPAC6-(2,6-dichloro-4-pentan-3-ylphenoxy)-2-methyl-4-propan-2-ylpyridazin-3-one
SMILESCCC(CC)c1cc(Cl)c(Oc2cc(C(C)C)c(=O)n(C)n2)c(Cl)c1
InChIInChI=1S/C19H24Cl2N2O2/c1-6-12(7-2)13-8-15(20)18(16(21)9-13)25-17-10-14(11(3)4)19(24)23(5)22-17/h8-12H,6-7H2,1-5H3
InChIKeySNZPNJUQKBPVTC-UHFFFAOYSA-N
MW383.32 g/mol
LogP5.91
Rot. Bonds6

About 6-(2,6-dichloro-4-pentan-3-ylphenoxy)-2-methyl-4-propan-2-ylpyridazin-3-one

6-(2,6-dichloro-4-pentan-3-ylphenoxy)-2-methyl-4-propan-2-ylpyridazin-3-one (PubChem CID 146404609) has the molecular formula C19H24Cl2N2O2 and a molecular weight of 383.32 g/mol. Its IUPAC name is 6-(2,6-dichloro-4-pentan-3-ylphenoxy)-2-methyl-4-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name6-(2,6-dichloro-4-pentan-3-ylphenoxy)-2-methyl-4-propan-2-ylpyridazin-3-one
PubChem CID146404609
Molecular FormulaC19H24Cl2N2O2
Molecular Weight383.32 g/mol
Exact Mass382.12
IUPAC Name6-(2,6-dichloro-4-pentan-3-ylphenoxy)-2-methyl-4-propan-2-ylpyridazin-3-one
SMILESCCC(CC)c1cc(Cl)c(Oc2cc(C(C)C)c(=O)n(C)n2)c(Cl)c1
InChIInChI=1S/C19H24Cl2N2O2/c1-6-12(7-2)13-8-15(20)18(16(21)9-13)25-17-10-14(11(3)4)19(24)23(5)22-17/h8-12H,6-7H2,1-5H3
InChIKeySNZPNJUQKBPVTC-UHFFFAOYSA-N
XLogP5.91
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.32
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichloro-4-pentan-3-ylphenoxy)-2-methyl-4-propan-2-ylpyridazin-3-one?
The IUPAC name of 6-(2,6-dichloro-4-pentan-3-ylphenoxy)-2-methyl-4-propan-2-ylpyridazin-3-one (CID 146404609) is 6-(2,6-dichloro-4-pentan-3-ylphenoxy)-2-methyl-4-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 6-(2,6-dichloro-4-pentan-3-ylphenoxy)-2-methyl-4-propan-2-ylpyridazin-3-one?
The canonical SMILES for 6-(2,6-dichloro-4-pentan-3-ylphenoxy)-2-methyl-4-propan-2-ylpyridazin-3-one is CCC(CC)c1cc(Cl)c(Oc2cc(C(C)C)c(=O)n(C)n2)c(Cl)c1.
What is the InChIKey of 6-(2,6-dichloro-4-pentan-3-ylphenoxy)-2-methyl-4-propan-2-ylpyridazin-3-one?
The InChIKey is SNZPNJUQKBPVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N2O2/c1-6-12(7-2)13-8-15(20)18(16(21)9-13)25-17-10-14(11(3)4)19(24)23(5)22-17/h8-12H,6-7H2,1-5H3.
What are the key properties of 6-(2,6-dichloro-4-pentan-3-ylphenoxy)-2-methyl-4-propan-2-ylpyridazin-3-one?
6-(2,6-dichloro-4-pentan-3-ylphenoxy)-2-methyl-4-propan-2-ylpyridazin-3-one has a molecular weight of 383.32 g/mol, XLogP of 5.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichloro-4-pentan-3-ylphenoxy)-2-methyl-4-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 146404609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).