methyl 2-(4-fluoro-2-methoxy-3,5-dimethylphenyl)-2-methylpropanoate

C14H19FO3 — CID 144982422

IUPACmethyl 2-(4-fluoro-2-methoxy-3,5-dimethylphenyl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1cc(C)c(F)c(C)c1OC
InChIInChI=1S/C14H19FO3/c1-8-7-10(14(3,4)13(16)18-6)12(17-5)9(2)11(8)15/h7H,1-6H3
InChIKeyUJSQDUPIJKAILY-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.90
Rot. Bonds3

About methyl 2-(4-fluoro-2-methoxy-3,5-dimethylphenyl)-2-methylpropanoate

methyl 2-(4-fluoro-2-methoxy-3,5-dimethylphenyl)-2-methylpropanoate (PubChem CID 144982422) has the molecular formula C14H19FO3 and a molecular weight of 254.30 g/mol. Its IUPAC name is methyl 2-(4-fluoro-2-methoxy-3,5-dimethylphenyl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(4-fluoro-2-methoxy-3,5-dimethylphenyl)-2-methylpropanoate
PubChem CID144982422
Molecular FormulaC14H19FO3
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Namemethyl 2-(4-fluoro-2-methoxy-3,5-dimethylphenyl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1cc(C)c(F)c(C)c1OC
InChIInChI=1S/C14H19FO3/c1-8-7-10(14(3,4)13(16)18-6)12(17-5)9(2)11(8)15/h7H,1-6H3
InChIKeyUJSQDUPIJKAILY-UHFFFAOYSA-N
XLogP2.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoate
CID 116963118
methyl 2-(3,5-diiodo-2-methoxyphenyl)-2-methylpropanoate
CID 57419460
methyl 2-(5-methoxy-3-methyl-2-trimethylsilyloxyphenyl)-2-methylpropanoate
CID 122373272
2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropanoic acid
CID 82291650
3-(4-methoxy-2,3,5-trimethylphenyl)-3-methylbutan-2-one
CID 82290788
methyl 2-[5-bromo-2-methoxy-3-(methylcarbamoyl)phenyl]-2-methylpropanoate
CID 126586385
ethyl 2-(2-methoxy-3,4-dimethylphenyl)-2-methylpropanoate
CID 103434200
methyl 2-(4-methoxy-N,3,5-trimethylanilino)-2-methylpropanoate
CID 115128406
2-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid
CID 82286933
(E)-N-[(5-tert-butyl-2-fluoro-4-methoxy-3-methylphenyl)carbamoyl]-3-methoxyprop-2-enamide
CID 144982494
(E)-N-[(5-tert-butyl-2-fluoro-4-methoxy-3-methylphenyl)carbamoyl]-3-methoxyprop-2-enamide;ethane
CID 144982493
methyl 5-tert-butyl-2-fluoro-6-hydroxy-3-methylbenzoate
CID 144982428

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluoro-2-methoxy-3,5-dimethylphenyl)-2-methylpropanoate?
The IUPAC name of methyl 2-(4-fluoro-2-methoxy-3,5-dimethylphenyl)-2-methylpropanoate (CID 144982422) is methyl 2-(4-fluoro-2-methoxy-3,5-dimethylphenyl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(4-fluoro-2-methoxy-3,5-dimethylphenyl)-2-methylpropanoate?
The canonical SMILES for methyl 2-(4-fluoro-2-methoxy-3,5-dimethylphenyl)-2-methylpropanoate is COC(=O)C(C)(C)c1cc(C)c(F)c(C)c1OC.
What is the InChIKey of methyl 2-(4-fluoro-2-methoxy-3,5-dimethylphenyl)-2-methylpropanoate?
The InChIKey is UJSQDUPIJKAILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO3/c1-8-7-10(14(3,4)13(16)18-6)12(17-5)9(2)11(8)15/h7H,1-6H3.
What are the key properties of methyl 2-(4-fluoro-2-methoxy-3,5-dimethylphenyl)-2-methylpropanoate?
methyl 2-(4-fluoro-2-methoxy-3,5-dimethylphenyl)-2-methylpropanoate has a molecular weight of 254.30 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluoro-2-methoxy-3,5-dimethylphenyl)-2-methylpropanoate is sourced from PubChem (CID 144982422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).