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

C24H25NO4 — CID 46892222

IUPACmethyl 2-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methoxy-3,3-diphenylpropanoate
SMILESCOC(=O)C(Oc1cnc(C)cc1C)C(OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO4/c1-17-15-18(2)25-16-21(17)29-22(23(26)27-3)24(28-4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-16,22H,1-4H3
InChIKeyAETIVPFQFCTZNC-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.21
Rot. Bonds7

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

methyl 2-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methoxy-3,3-diphenylpropanoate (PubChem CID 46892222) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is methyl 2-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methoxy-3,3-diphenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methoxy-3,3-diphenylpropanoate
PubChem CID46892222
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Namemethyl 2-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methoxy-3,3-diphenylpropanoate
SMILESCOC(=O)C(Oc1cnc(C)cc1C)C(OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO4/c1-17-15-18(2)25-16-21(17)29-22(23(26)27-3)24(28-4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-16,22H,1-4H3
InChIKeyAETIVPFQFCTZNC-UHFFFAOYSA-N
XLogP4.21
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2,6-dimethoxy-4-pyridinyl)oxy]-3-methoxy-3,3-diphenylpropanoate
CID 46892088
3-methoxy-2-methoxycarbonyl-3,3-diphenylpropanoic acid
CID 163212872
(2S)-3-methoxy-2-(4-methylpyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid
CID 41068863
(2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenylpropanoic acid;(1S)-1-phenylethanamine
CID 53389537
(2S)-3-methoxy-2-[4-methyl-6-(trideuteriomethyl)pyrimidin-2-yl]oxy-3,3-diphenylpropanoic acid
CID 25217500
2-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]oxy-3-methoxy-3,3-diphenylpropanoic acid
CID 25183520
6-nitrooxyhexyl 2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenylpropanoate
CID 76639746
3-(4-fluorophenyl)-3-methoxy-2-(4-methylpyrimidin-2-yl)oxy-3-phenylpropanoic acid
CID 4263476
methyl (2R)-2-(4-tert-butyl-2-methylphenoxy)propanoate
CID 94156912
2-methoxy-2-phenylpropanehydrazide
CID 138489021
methyl 3-amino-2-hydroxy-3-phenylbutanoate
CID 74334118
2-[(5-methoxy-2-methyl-4-pyridinyl)amino]-1-phenylethanol
CID 106660277

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methoxy-3,3-diphenylpropanoate?
The IUPAC name of methyl 2-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methoxy-3,3-diphenylpropanoate (CID 46892222) is methyl 2-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methoxy-3,3-diphenylpropanoate.
What is the SMILES notation for methyl 2-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methoxy-3,3-diphenylpropanoate?
The canonical SMILES for methyl 2-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methoxy-3,3-diphenylpropanoate is COC(=O)C(Oc1cnc(C)cc1C)C(OC)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methoxy-3,3-diphenylpropanoate?
The InChIKey is AETIVPFQFCTZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-17-15-18(2)25-16-21(17)29-22(23(26)27-3)24(28-4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-16,22H,1-4H3.
What are the key properties of methyl 2-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methoxy-3,3-diphenylpropanoate?
methyl 2-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methoxy-3,3-diphenylpropanoate has a molecular weight of 391.47 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4,6-dimethyl-3-pyridinyl)oxy]-3-methoxy-3,3-diphenylpropanoate is sourced from PubChem (CID 46892222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).