methyl 3-ethoxy-2-methoxybenzoate

C11H14O4 — CID 82161720

IUPACmethyl 3-ethoxy-2-methoxybenzoate
SMILESCCOc1cccc(C(=O)OC)c1OC
InChIInChI=1S/C11H14O4/c1-4-15-9-7-5-6-8(10(9)13-2)11(12)14-3/h5-7H,4H2,1-3H3
InChIKeyMXEOZCKBGKWFMG-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.88
Rot. Bonds4

About methyl 3-ethoxy-2-methoxybenzoate

methyl 3-ethoxy-2-methoxybenzoate (PubChem CID 82161720) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 3-ethoxy-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 3-ethoxy-2-methoxybenzoate
PubChem CID82161720
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namemethyl 3-ethoxy-2-methoxybenzoate
SMILESCCOc1cccc(C(=O)OC)c1OC
InChIInChI=1S/C11H14O4/c1-4-15-9-7-5-6-8(10(9)13-2)11(12)14-3/h5-7H,4H2,1-3H3
InChIKeyMXEOZCKBGKWFMG-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-ethoxy-3-methoxybenzoate
CID 45094190
methyl 2-chloro-3-ethoxybenzoate
CID 153384236
methyl 2,3-bis(2-methoxyethoxy)benzoate
CID 66888836
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339
ethyl 2-ethoxy-3-methoxybenzoate
CID 82186199
methyl 2-ethoxy-3-(hydroxymethyl)benzoate
CID 118269212
methyl 3-(2-ethoxy-2-oxoethyl)-2-methoxybenzoate
CID 164678824
1-chloro-1-(3-ethoxy-2-methoxyphenyl)butan-2-one
CID 82161484
methyl 3-(chloromethyl)-2-methoxybenzoate
CID 22615935
3-butoxy-2-methoxybenzoic acid
CID 82161610
methyl 4-amino-8-ethoxyquinoline-3-carboxylate
CID 102614789
methyl 2-[(2-ethoxyphenoxy)methylcarbamoylamino]benzoate
CID 108877191

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethoxy-2-methoxybenzoate?
The IUPAC name of methyl 3-ethoxy-2-methoxybenzoate (CID 82161720) is methyl 3-ethoxy-2-methoxybenzoate.
What is the SMILES notation for methyl 3-ethoxy-2-methoxybenzoate?
The canonical SMILES for methyl 3-ethoxy-2-methoxybenzoate is CCOc1cccc(C(=O)OC)c1OC.
What is the InChIKey of methyl 3-ethoxy-2-methoxybenzoate?
The InChIKey is MXEOZCKBGKWFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-4-15-9-7-5-6-8(10(9)13-2)11(12)14-3/h5-7H,4H2,1-3H3.
What are the key properties of methyl 3-ethoxy-2-methoxybenzoate?
methyl 3-ethoxy-2-methoxybenzoate has a molecular weight of 210.23 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethoxy-2-methoxybenzoate is sourced from PubChem (CID 82161720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).