methyl 2-methyl-2-(2,4,6-trimethoxyphenyl)propanoate

C14H20O5 — CID 116963092

IUPACmethyl 2-methyl-2-(2,4,6-trimethoxyphenyl)propanoate
SMILESCOC(=O)C(C)(C)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C14H20O5/c1-14(2,13(15)19-6)12-10(17-4)7-9(16-3)8-11(12)18-5/h7-8H,1-6H3
InChIKeyLQXAYZBWIPZHBK-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.16
Rot. Bonds5

About methyl 2-methyl-2-(2,4,6-trimethoxyphenyl)propanoate

methyl 2-methyl-2-(2,4,6-trimethoxyphenyl)propanoate (PubChem CID 116963092) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is methyl 2-methyl-2-(2,4,6-trimethoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(2,4,6-trimethoxyphenyl)propanoate
PubChem CID116963092
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Namemethyl 2-methyl-2-(2,4,6-trimethoxyphenyl)propanoate
SMILESCOC(=O)C(C)(C)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C14H20O5/c1-14(2,13(15)19-6)12-10(17-4)7-9(16-3)8-11(12)18-5/h7-8H,1-6H3
InChIKeyLQXAYZBWIPZHBK-UHFFFAOYSA-N
XLogP2.16
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,1-difluoroethyl)-1,3,5-trimethoxybenzene
CID 116841570
methyl 2-methyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
CID 43725845
methyl (3S)-3-amino-2,2-dimethyl-3-(2,4,6-trimethoxyphenyl)propanoate;hydrochloride
CID 171246663
methyl 3-(2,4-dimethoxy-6-methylphenyl)-2,2-dimethylpropanoate
CID 116927600
3,3-dimethyl-1-(2,4,6-trimethoxyphenyl)butan-1-one
CID 98033306
methyl 2-(4-methoxy-3-methylphenyl)-2-methylpropanoate
CID 116963053
3-(2,4-dimethoxy-6-methylphenyl)-3-methylbutanoic acid
CID 117384014
methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoate
CID 116963118
methyl 2-amino-2-(2,4,6-trimethoxyphenyl)acetate
CID 14604184
methyl 3-(2,4-dimethoxyanilino)-2-hydroxy-2-methylpropanoate
CID 104643628
methyl 2-(4-iodo-3-methoxyphenyl)-2-methylpropanoate
CID 162427239
4,4-difluoro-4-(2,4,6-trimethoxyphenyl)butanoic acid
CID 28745556

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(2,4,6-trimethoxyphenyl)propanoate?
The IUPAC name of methyl 2-methyl-2-(2,4,6-trimethoxyphenyl)propanoate (CID 116963092) is methyl 2-methyl-2-(2,4,6-trimethoxyphenyl)propanoate.
What is the SMILES notation for methyl 2-methyl-2-(2,4,6-trimethoxyphenyl)propanoate?
The canonical SMILES for methyl 2-methyl-2-(2,4,6-trimethoxyphenyl)propanoate is COC(=O)C(C)(C)c1c(OC)cc(OC)cc1OC.
What is the InChIKey of methyl 2-methyl-2-(2,4,6-trimethoxyphenyl)propanoate?
The InChIKey is LQXAYZBWIPZHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-14(2,13(15)19-6)12-10(17-4)7-9(16-3)8-11(12)18-5/h7-8H,1-6H3.
What are the key properties of methyl 2-methyl-2-(2,4,6-trimethoxyphenyl)propanoate?
methyl 2-methyl-2-(2,4,6-trimethoxyphenyl)propanoate has a molecular weight of 268.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(2,4,6-trimethoxyphenyl)propanoate is sourced from PubChem (CID 116963092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).