methyl 2-[4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxy-3,5-dimethylphenyl]acetate

C18H21ClN2O3 — CID 59834457

IUPACmethyl 2-[4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxy-3,5-dimethylphenyl]acetate
SMILESCOC(=O)Cc1cc(C)c(Oc2cc(C(C)C)c(Cl)nn2)c(C)c1
InChIInChI=1S/C18H21ClN2O3/c1-10(2)14-9-15(20-21-18(14)19)24-17-11(3)6-13(7-12(17)4)8-16(22)23-5/h6-7,9-10H,8H2,1-5H3
InChIKeyOIRKPKPPMUMTDA-UHFFFAOYSA-N
MW348.83 g/mol
LogP4.38
Rot. Bonds5

About methyl 2-[4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxy-3,5-dimethylphenyl]acetate

methyl 2-[4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxy-3,5-dimethylphenyl]acetate (PubChem CID 59834457) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is methyl 2-[4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxy-3,5-dimethylphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxy-3,5-dimethylphenyl]acetate
PubChem CID59834457
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Namemethyl 2-[4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxy-3,5-dimethylphenyl]acetate
SMILESCOC(=O)Cc1cc(C)c(Oc2cc(C(C)C)c(Cl)nn2)c(C)c1
InChIInChI=1S/C18H21ClN2O3/c1-10(2)14-9-15(20-21-18(14)19)24-17-11(3)6-13(7-12(17)4)8-16(22)23-5/h6-7,9-10H,8H2,1-5H3
InChIKeyOIRKPKPPMUMTDA-UHFFFAOYSA-N
XLogP4.38
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxy-3,5-dimethylphenyl]acetate?
The IUPAC name of methyl 2-[4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxy-3,5-dimethylphenyl]acetate (CID 59834457) is methyl 2-[4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxy-3,5-dimethylphenyl]acetate.
What is the SMILES notation for methyl 2-[4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxy-3,5-dimethylphenyl]acetate?
The canonical SMILES for methyl 2-[4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxy-3,5-dimethylphenyl]acetate is COC(=O)Cc1cc(C)c(Oc2cc(C(C)C)c(Cl)nn2)c(C)c1.
What is the InChIKey of methyl 2-[4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxy-3,5-dimethylphenyl]acetate?
The InChIKey is OIRKPKPPMUMTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-10(2)14-9-15(20-21-18(14)19)24-17-11(3)6-13(7-12(17)4)8-16(22)23-5/h6-7,9-10H,8H2,1-5H3.
What are the key properties of methyl 2-[4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxy-3,5-dimethylphenyl]acetate?
methyl 2-[4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxy-3,5-dimethylphenyl]acetate has a molecular weight of 348.83 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(6-chloro-5-propan-2-ylpyridazin-3-yl)oxy-3,5-dimethylphenyl]acetate is sourced from PubChem (CID 59834457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).