methyl 3-methoxy-4-(methoxymethyl)benzoate

C11H14O4 — CID 134128516

IUPACmethyl 3-methoxy-4-(methoxymethyl)benzoate
SMILESCOCc1ccc(C(=O)OC)cc1OC
InChIInChI=1S/C11H14O4/c1-13-7-9-5-4-8(11(12)15-3)6-10(9)14-2/h4-6H,7H2,1-3H3
InChIKeyDOCGWTKPJNEOIX-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.63
Rot. Bonds4

About methyl 3-methoxy-4-(methoxymethyl)benzoate

methyl 3-methoxy-4-(methoxymethyl)benzoate (PubChem CID 134128516) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 3-methoxy-4-(methoxymethyl)benzoate.

Molecular Properties

Compound Namemethyl 3-methoxy-4-(methoxymethyl)benzoate
PubChem CID134128516
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namemethyl 3-methoxy-4-(methoxymethyl)benzoate
SMILESCOCc1ccc(C(=O)OC)cc1OC
InChIInChI=1S/C11H14O4/c1-13-7-9-5-4-8(11(12)15-3)6-10(9)14-2/h4-6H,7H2,1-3H3
InChIKeyDOCGWTKPJNEOIX-UHFFFAOYSA-N
XLogP1.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-methoxy-4-(methoxymethyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2-methoxy-4-methoxycarbonylphenyl)methylamino]carbamic acid
CID 166681453
methyl 4-(2-aminoethyl)-3-methoxybenzoate;hydrochloride
CID 67396298
dimethyl 2-(methoxymethyl)benzene-1,4-dicarboxylate
CID 11390757
methyl 4-methoxy-3-(2-methoxyethoxy)benzoate
CID 66876699
methyl 4-bromo-3-(methoxymethyl)benzoate
CID 58554220
methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
CID 15167932
methyl 4-amino-3-methoxybenzoate
CID 602411
ethane;methyl 4-cyano-3-(methoxymethyl)benzoate
CID 144882044
methyl 3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1H-indole-5-carboxylate
CID 11100285
methyl 3-(2-hydroxyethyl)-4-methoxybenzoate
CID 10608505
methyl 4-(2-fluoroethoxy)-3-methoxybenzoate
CID 90061966
methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate
CID 16785387

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-4-(methoxymethyl)benzoate?
The IUPAC name of methyl 3-methoxy-4-(methoxymethyl)benzoate (CID 134128516) is methyl 3-methoxy-4-(methoxymethyl)benzoate.
What is the SMILES notation for methyl 3-methoxy-4-(methoxymethyl)benzoate?
The canonical SMILES for methyl 3-methoxy-4-(methoxymethyl)benzoate is COCc1ccc(C(=O)OC)cc1OC.
What is the InChIKey of methyl 3-methoxy-4-(methoxymethyl)benzoate?
The InChIKey is DOCGWTKPJNEOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-13-7-9-5-4-8(11(12)15-3)6-10(9)14-2/h4-6H,7H2,1-3H3.
What are the key properties of methyl 3-methoxy-4-(methoxymethyl)benzoate?
methyl 3-methoxy-4-(methoxymethyl)benzoate has a molecular weight of 210.23 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-4-(methoxymethyl)benzoate is sourced from PubChem (CID 134128516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).