methyl 2-(2,5-dimethylphenoxy)acetate

C11H14O3 — CID 729953

IUPACmethyl 2-(2,5-dimethylphenoxy)acetate
SMILESCOC(=O)COc1cc(C)ccc1C
InChIInChI=1S/C11H14O3/c1-8-4-5-9(2)10(6-8)14-7-11(12)13-3/h4-6H,7H2,1-3H3
InChIKeyMJHCVYQQBIXYGN-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.86
Rot. Bonds3

About methyl 2-(2,5-dimethylphenoxy)acetate

methyl 2-(2,5-dimethylphenoxy)acetate (PubChem CID 729953) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl 2-(2,5-dimethylphenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(2,5-dimethylphenoxy)acetate
PubChem CID729953
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namemethyl 2-(2,5-dimethylphenoxy)acetate
SMILESCOC(=O)COc1cc(C)ccc1C
InChIInChI=1S/C11H14O3/c1-8-4-5-9(2)10(6-8)14-7-11(12)13-3/h4-6H,7H2,1-3H3
InChIKeyMJHCVYQQBIXYGN-UHFFFAOYSA-N
XLogP1.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(5-amino-2-methylphenoxy)acetate
CID 43520245
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
methyl 2-[[2-(2,5-dimethylphenoxy)acetyl]-ethylamino]acetate
CID 61383302
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233348
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8918872
2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 43412276
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
methyl 2-(5-cyclopentyl-2-methylphenoxy)acetate
CID 165142972
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-fluorophenoxy)acetohydrazide
CID 7943429
2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 807483

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-dimethylphenoxy)acetate?
The IUPAC name of methyl 2-(2,5-dimethylphenoxy)acetate (CID 729953) is methyl 2-(2,5-dimethylphenoxy)acetate.
What is the SMILES notation for methyl 2-(2,5-dimethylphenoxy)acetate?
The canonical SMILES for methyl 2-(2,5-dimethylphenoxy)acetate is COC(=O)COc1cc(C)ccc1C.
What is the InChIKey of methyl 2-(2,5-dimethylphenoxy)acetate?
The InChIKey is MJHCVYQQBIXYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8-4-5-9(2)10(6-8)14-7-11(12)13-3/h4-6H,7H2,1-3H3.
What are the key properties of methyl 2-(2,5-dimethylphenoxy)acetate?
methyl 2-(2,5-dimethylphenoxy)acetate has a molecular weight of 194.23 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-dimethylphenoxy)acetate is sourced from PubChem (CID 729953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).