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

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Related Compounds

methyl 2-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methoxy-3,3-diphenylpropanoate
CID 46892222
3-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3-phenylpropanoic acid
CID 46190839
3-(dihydroxyamino)oxypropyl (2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3,3-diphenylpropanoate
CID 89145041
4-nitrooxybutyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3,3-diphenylpropanoate
CID 143585440
6-nitrooxyhexyl (2S)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3,3-diphenylpropanoate
CID 25093985
3-(2-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3-phenylpropanoic acid
CID 46190769
3-methoxy-2-methoxycarbonyl-3,3-diphenylpropanoic acid
CID 163212872
3-methoxy-2-[4-methoxy-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]oxy-3,3-diphenylpropanoic acid
CID 142653066
methyl 3,3,3-trifluoro-2-phenoxypropanoate
CID 121000183
(2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenylpropanoic acid;(1S)-1-phenylethanamine
CID 53389537
3-acetamido-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid
CID 151547669
3-amino-2-(4-methoxy-6-methylpyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid
CID 15860373

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).