methyl 2-ethoxy-3-(hydroxymethyl)benzoate

C11H14O4 — CID 118269212

IUPACmethyl 2-ethoxy-3-(hydroxymethyl)benzoate
SMILESCCOc1c(CO)cccc1C(=O)OC
InChIInChI=1S/C11H14O4/c1-3-15-10-8(7-12)5-4-6-9(10)11(13)14-2/h4-6,12H,3,7H2,1-2H3
InChIKeyMCJOWLHRVUOSSM-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.36
Rot. Bonds4

About methyl 2-ethoxy-3-(hydroxymethyl)benzoate

methyl 2-ethoxy-3-(hydroxymethyl)benzoate (PubChem CID 118269212) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 2-ethoxy-3-(hydroxymethyl)benzoate.

Molecular Properties

Compound Namemethyl 2-ethoxy-3-(hydroxymethyl)benzoate
PubChem CID118269212
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namemethyl 2-ethoxy-3-(hydroxymethyl)benzoate
SMILESCCOc1c(CO)cccc1C(=O)OC
InChIInChI=1S/C11H14O4/c1-3-15-10-8(7-12)5-4-6-9(10)11(13)14-2/h4-6,12H,3,7H2,1-2H3
InChIKeyMCJOWLHRVUOSSM-UHFFFAOYSA-N
XLogP1.36
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-ethoxy-3-methoxybenzoate
CID 45094190
[2-ethoxy-3-(hydroxymethyl)phenyl]methanol
CID 118269330
methyl 2-hydroxy-3-(hydroxymethyl)benzoate
CID 54246985
methyl 3-ethoxy-2-methoxybenzoate
CID 82161720
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
methyl 8-ethylquinoline-4-carboxylate
CID 102941710
methyl 3-(2-ethoxy-2-oxoethyl)-2-methoxybenzoate
CID 164678824
butyl 2-ethoxy-3-ethylbenzoate
CID 141402321
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
methyl 3-(chloromethyl)-2-methoxybenzoate
CID 22615935
methyl 3-(hydroxymethyl)-2-prop-1-enylbenzoate
CID 142678994
methyl 2-chloro-3-ethoxybenzoate
CID 153384236

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethoxy-3-(hydroxymethyl)benzoate?
The IUPAC name of methyl 2-ethoxy-3-(hydroxymethyl)benzoate (CID 118269212) is methyl 2-ethoxy-3-(hydroxymethyl)benzoate.
What is the SMILES notation for methyl 2-ethoxy-3-(hydroxymethyl)benzoate?
The canonical SMILES for methyl 2-ethoxy-3-(hydroxymethyl)benzoate is CCOc1c(CO)cccc1C(=O)OC.
What is the InChIKey of methyl 2-ethoxy-3-(hydroxymethyl)benzoate?
The InChIKey is MCJOWLHRVUOSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-3-15-10-8(7-12)5-4-6-9(10)11(13)14-2/h4-6,12H,3,7H2,1-2H3.
What are the key properties of methyl 2-ethoxy-3-(hydroxymethyl)benzoate?
methyl 2-ethoxy-3-(hydroxymethyl)benzoate has a molecular weight of 210.23 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethoxy-3-(hydroxymethyl)benzoate is sourced from PubChem (CID 118269212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).