2-methoxyethyl 2-(2-methylphenyl)acetate

C12H16O3 — CID 78830183

IUPAC2-methoxyethyl 2-(2-methylphenyl)acetate
SMILESCOCCOC(=O)Cc1ccccc1C
InChIInChI=1S/C12H16O3/c1-10-5-3-4-6-11(10)9-12(13)15-8-7-14-2/h3-6H,7-9H2,1-2H3
InChIKeyWPNFTQNKXRLYRQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.73
Rot. Bonds5

About 2-methoxyethyl 2-(2-methylphenyl)acetate

2-methoxyethyl 2-(2-methylphenyl)acetate (PubChem CID 78830183) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-methoxyethyl 2-(2-methylphenyl)acetate.

Molecular Properties

Compound Name2-methoxyethyl 2-(2-methylphenyl)acetate
PubChem CID78830183
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-methoxyethyl 2-(2-methylphenyl)acetate
SMILESCOCCOC(=O)Cc1ccccc1C
InChIInChI=1S/C12H16O3/c1-10-5-3-4-6-11(10)9-12(13)15-8-7-14-2/h3-6H,7-9H2,1-2H3
InChIKeyWPNFTQNKXRLYRQ-UHFFFAOYSA-N
XLogP1.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-propan-2-yloxyethyl 2-(2-methylphenyl)acetate
CID 78831089
3-trimethoxysilylpropyl 2-(2-methylphenyl)acetate
CID 140788680
ethane;methyl 2-(2-methylphenyl)acetate
CID 142489189
pent-3-ynyl 2-(2-methylphenyl)acetate
CID 75453317
7-methyloctyl 2-(2-methylphenyl)acetate
CID 140794921
3-(2-methoxyethoxy)propyl 2-[2-(aminomethyl)phenyl]acetate
CID 103403216
3-methoxypropyl 2-[2-(3-methoxypropoxy)phenyl]acetate
CID 58005998
ethyl 2-[2-(2-oxo-2-propoxyethyl)phenyl]acetate
CID 140674199
potassium;hydride;phosphanyl 2-(2-methylphenyl)acetate
CID 174951239
[2-(2-methoxyphenyl)acetyl] 2-(2-methylphenyl)acetate
CID 57251946
2-(2-methylphenyl)acetic acid
CID 67440217
[2-(tert-butylamino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489138

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-(2-methylphenyl)acetate?
The IUPAC name of 2-methoxyethyl 2-(2-methylphenyl)acetate (CID 78830183) is 2-methoxyethyl 2-(2-methylphenyl)acetate.
What is the SMILES notation for 2-methoxyethyl 2-(2-methylphenyl)acetate?
The canonical SMILES for 2-methoxyethyl 2-(2-methylphenyl)acetate is COCCOC(=O)Cc1ccccc1C.
What is the InChIKey of 2-methoxyethyl 2-(2-methylphenyl)acetate?
The InChIKey is WPNFTQNKXRLYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-10-5-3-4-6-11(10)9-12(13)15-8-7-14-2/h3-6H,7-9H2,1-2H3.
What are the key properties of 2-methoxyethyl 2-(2-methylphenyl)acetate?
2-methoxyethyl 2-(2-methylphenyl)acetate has a molecular weight of 208.26 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-(2-methylphenyl)acetate is sourced from PubChem (CID 78830183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).