methyl 4-(4-methyl-6-phenoxypyrimidin-2-yl)oxybenzoate

C19H16N2O4 — CID 3237582

IUPACmethyl 4-(4-methyl-6-phenoxypyrimidin-2-yl)oxybenzoate
SMILESCOC(=O)c1ccc(Oc2nc(C)cc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C19H16N2O4/c1-13-12-17(24-15-6-4-3-5-7-15)21-19(20-13)25-16-10-8-14(9-11-16)18(22)23-2/h3-12H,1-2H3
InChIKeyTZANIXUHRCNKAU-UHFFFAOYSA-N
MW336.35 g/mol
LogP4.16
Rot. Bonds5

About methyl 4-(4-methyl-6-phenoxypyrimidin-2-yl)oxybenzoate

methyl 4-(4-methyl-6-phenoxypyrimidin-2-yl)oxybenzoate (PubChem CID 3237582) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is methyl 4-(4-methyl-6-phenoxypyrimidin-2-yl)oxybenzoate.

Molecular Properties

Compound Namemethyl 4-(4-methyl-6-phenoxypyrimidin-2-yl)oxybenzoate
PubChem CID3237582
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Namemethyl 4-(4-methyl-6-phenoxypyrimidin-2-yl)oxybenzoate
SMILESCOC(=O)c1ccc(Oc2nc(C)cc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C19H16N2O4/c1-13-12-17(24-15-6-4-3-5-7-15)21-19(20-13)25-16-10-8-14(9-11-16)18(22)23-2/h3-12H,1-2H3
InChIKeyTZANIXUHRCNKAU-UHFFFAOYSA-N
XLogP4.16
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methyl-6-phenoxypyrimidin-2-yl)oxybenzoate?
The IUPAC name of methyl 4-(4-methyl-6-phenoxypyrimidin-2-yl)oxybenzoate (CID 3237582) is methyl 4-(4-methyl-6-phenoxypyrimidin-2-yl)oxybenzoate.
What is the SMILES notation for methyl 4-(4-methyl-6-phenoxypyrimidin-2-yl)oxybenzoate?
The canonical SMILES for methyl 4-(4-methyl-6-phenoxypyrimidin-2-yl)oxybenzoate is COC(=O)c1ccc(Oc2nc(C)cc(Oc3ccccc3)n2)cc1.
What is the InChIKey of methyl 4-(4-methyl-6-phenoxypyrimidin-2-yl)oxybenzoate?
The InChIKey is TZANIXUHRCNKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-13-12-17(24-15-6-4-3-5-7-15)21-19(20-13)25-16-10-8-14(9-11-16)18(22)23-2/h3-12H,1-2H3.
What are the key properties of methyl 4-(4-methyl-6-phenoxypyrimidin-2-yl)oxybenzoate?
methyl 4-(4-methyl-6-phenoxypyrimidin-2-yl)oxybenzoate has a molecular weight of 336.35 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methyl-6-phenoxypyrimidin-2-yl)oxybenzoate is sourced from PubChem (CID 3237582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).