ethyl 2-(methoxymethyl)-4-methylbenzoate

C12H16O3 — CID 177243717

IUPACethyl 2-(methoxymethyl)-4-methylbenzoate
SMILESCCOC(=O)c1ccc(C)cc1COC
InChIInChI=1S/C12H16O3/c1-4-15-12(13)11-6-5-9(2)7-10(11)8-14-3/h5-7H,4,8H2,1-3H3
InChIKeyBEDXHVOXYOTTSF-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.32
Rot. Bonds4

About ethyl 2-(methoxymethyl)-4-methylbenzoate

ethyl 2-(methoxymethyl)-4-methylbenzoate (PubChem CID 177243717) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethyl 2-(methoxymethyl)-4-methylbenzoate.

Molecular Properties

Compound Nameethyl 2-(methoxymethyl)-4-methylbenzoate
PubChem CID177243717
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Nameethyl 2-(methoxymethyl)-4-methylbenzoate
SMILESCCOC(=O)c1ccc(C)cc1COC
InChIInChI=1S/C12H16O3/c1-4-15-12(13)11-6-5-9(2)7-10(11)8-14-3/h5-7H,4,8H2,1-3H3
InChIKeyBEDXHVOXYOTTSF-UHFFFAOYSA-N
XLogP2.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-bromo-2-(methoxymethyl)benzoate
CID 141482166
ethyl 2-[(4-formylphenoxy)methyl]-4-methylbenzoate
CID 59654274
diethyl 4-(methoxymethyl)benzene-1,2-dicarboxylate
CID 141473681
ethane;2-(methoxymethyl)-4-methyl-1-prop-1-en-2-ylbenzene
CID 167502985
ethyl 2-(methoxymethyl)-5-methylsulfanylbenzoate
CID 91881292
ethene;1-ethyl-2-(methoxymethyl)-4-methylbenzene
CID 143093796
1-O-(1,3-dimethoxypropan-2-yl) 2-O-ethyl 4-methylbenzene-1,2-dicarboxylate
CID 141353503
ethyl 4-hydroxy-2-propylbenzoate
CID 66937592
ethyl 4-methyl-2-(4-methylbenzoyl)benzoate
CID 102187690
dimethyl 2-(methoxymethyl)benzene-1,4-dicarboxylate
CID 11390757
methyl 2-(chloromethyl)-4-methylbenzoate
CID 147716763
ethyl 2-[4-methoxy-2-(methoxymethyl)phenyl]-2-oxoacetate
CID 117383431

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methoxymethyl)-4-methylbenzoate?
The IUPAC name of ethyl 2-(methoxymethyl)-4-methylbenzoate (CID 177243717) is ethyl 2-(methoxymethyl)-4-methylbenzoate.
What is the SMILES notation for ethyl 2-(methoxymethyl)-4-methylbenzoate?
The canonical SMILES for ethyl 2-(methoxymethyl)-4-methylbenzoate is CCOC(=O)c1ccc(C)cc1COC.
What is the InChIKey of ethyl 2-(methoxymethyl)-4-methylbenzoate?
The InChIKey is BEDXHVOXYOTTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-4-15-12(13)11-6-5-9(2)7-10(11)8-14-3/h5-7H,4,8H2,1-3H3.
What are the key properties of ethyl 2-(methoxymethyl)-4-methylbenzoate?
ethyl 2-(methoxymethyl)-4-methylbenzoate has a molecular weight of 208.26 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methoxymethyl)-4-methylbenzoate is sourced from PubChem (CID 177243717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).