methyl 2-[(2,6-dimethoxy-4-pyridinyl)oxy]-3-methoxy-3,3-diphenylpropanoate

C24H25NO6 — CID 46892088

IUPACmethyl 2-[(2,6-dimethoxy-4-pyridinyl)oxy]-3-methoxy-3,3-diphenylpropanoate
SMILESCOC(=O)C(Oc1cc(OC)nc(OC)c1)C(OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO6/c1-27-20-15-19(16-21(25-20)28-2)31-22(23(26)29-3)24(30-4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16,22H,1-4H3
InChIKeyBCNOVYXZBLNYFJ-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.61
Rot. Bonds9

About methyl 2-[(2,6-dimethoxy-4-pyridinyl)oxy]-3-methoxy-3,3-diphenylpropanoate

methyl 2-[(2,6-dimethoxy-4-pyridinyl)oxy]-3-methoxy-3,3-diphenylpropanoate (PubChem CID 46892088) has the molecular formula C24H25NO6 and a molecular weight of 423.47 g/mol. Its IUPAC name is methyl 2-[(2,6-dimethoxy-4-pyridinyl)oxy]-3-methoxy-3,3-diphenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2,6-dimethoxy-4-pyridinyl)oxy]-3-methoxy-3,3-diphenylpropanoate
PubChem CID46892088
Molecular FormulaC24H25NO6
Molecular Weight423.47 g/mol
Exact Mass423.17
IUPAC Namemethyl 2-[(2,6-dimethoxy-4-pyridinyl)oxy]-3-methoxy-3,3-diphenylpropanoate
SMILESCOC(=O)C(Oc1cc(OC)nc(OC)c1)C(OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO6/c1-27-20-15-19(16-21(25-20)28-2)31-22(23(26)29-3)24(30-4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16,22H,1-4H3
InChIKeyBCNOVYXZBLNYFJ-UHFFFAOYSA-N
XLogP3.61
TPSA76.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(2,6-dimethoxy-4-pyridinyl)oxy]-3-methoxy-3,3-diphenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,6-dimethoxy-4-pyridinyl)oxy]-3-methoxy-3,3-diphenylpropanoate?
The IUPAC name of methyl 2-[(2,6-dimethoxy-4-pyridinyl)oxy]-3-methoxy-3,3-diphenylpropanoate (CID 46892088) is methyl 2-[(2,6-dimethoxy-4-pyridinyl)oxy]-3-methoxy-3,3-diphenylpropanoate.
What is the SMILES notation for methyl 2-[(2,6-dimethoxy-4-pyridinyl)oxy]-3-methoxy-3,3-diphenylpropanoate?
The canonical SMILES for methyl 2-[(2,6-dimethoxy-4-pyridinyl)oxy]-3-methoxy-3,3-diphenylpropanoate is COC(=O)C(Oc1cc(OC)nc(OC)c1)C(OC)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-[(2,6-dimethoxy-4-pyridinyl)oxy]-3-methoxy-3,3-diphenylpropanoate?
The InChIKey is BCNOVYXZBLNYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO6/c1-27-20-15-19(16-21(25-20)28-2)31-22(23(26)29-3)24(30-4,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16,22H,1-4H3.
What are the key properties of methyl 2-[(2,6-dimethoxy-4-pyridinyl)oxy]-3-methoxy-3,3-diphenylpropanoate?
methyl 2-[(2,6-dimethoxy-4-pyridinyl)oxy]-3-methoxy-3,3-diphenylpropanoate has a molecular weight of 423.47 g/mol, XLogP of 3.61, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,6-dimethoxy-4-pyridinyl)oxy]-3-methoxy-3,3-diphenylpropanoate is sourced from PubChem (CID 46892088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).