methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoate

C15H22O3 — CID 116963118

IUPACmethyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1c(C)cc(C)c(C)c1OC
InChIInChI=1S/C15H22O3/c1-9-8-10(2)12(13(17-6)11(9)3)15(4,5)14(16)18-7/h8H,1-7H3
InChIKeyRLKPPSFJTKUGQJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.07
Rot. Bonds3

About methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoate

methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoate (PubChem CID 116963118) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoate
PubChem CID116963118
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Namemethyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1c(C)cc(C)c(C)c1OC
InChIInChI=1S/C15H22O3/c1-9-8-10(2)12(13(17-6)11(9)3)15(4,5)14(16)18-7/h8H,1-7H3
InChIKeyRLKPPSFJTKUGQJ-UHFFFAOYSA-N
XLogP3.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxy-3,4,6-trimethylphenyl)-3-methylbutanoic acid
CID 116962917
methyl 2-(4-fluoro-2-methoxy-3,5-dimethylphenyl)-2-methylpropanoate
CID 144982422
methyl 2-methyl-2-(2,4,6-trimethoxyphenyl)propanoate
CID 116963092
methyl 2-(3,5-diiodo-2-methoxyphenyl)-2-methylpropanoate
CID 57419460
2-[[2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpropyl]amino]acetonitrile
CID 115131588
2-(1,1-difluoro-2-methylpropyl)-3-methoxy-1,4,5-trimethylbenzene
CID 116841497
methyl N-(2-methoxy-3,4,6-trimethylphenyl)carbamate
CID 115190424
methyl 2-(5-methoxy-3-methyl-2-trimethylsilyloxyphenyl)-2-methylpropanoate
CID 122373272
2-methoxy-3,4,6-trimethylbenzoyl chloride
CID 116924656
methyl 2-(4-methoxy-3-methylphenyl)-2-methylpropanoate
CID 116963053
2,2-difluoro-2-(2-methoxy-3,4,6-trimethylphenyl)ethanamine
CID 116838627
3-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-2,2-dimethylpropanoic acid
CID 116937994

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoate?
The IUPAC name of methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoate (CID 116963118) is methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoate?
The canonical SMILES for methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoate is COC(=O)C(C)(C)c1c(C)cc(C)c(C)c1OC.
What is the InChIKey of methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoate?
The InChIKey is RLKPPSFJTKUGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-9-8-10(2)12(13(17-6)11(9)3)15(4,5)14(16)18-7/h8H,1-7H3.
What are the key properties of methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoate?
methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoate has a molecular weight of 250.34 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoate is sourced from PubChem (CID 116963118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).