methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate

C12H16O6 — CID 122501384

IUPACmethyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OCCO)c(OC)c1
InChIInChI=1S/C12H16O6/c1-15-9-6-8(12(14)17-3)7-10(16-2)11(9)18-5-4-13/h6-7,13H,4-5H2,1-3H3
InChIKeyLSBXFKVFFMGBJJ-UHFFFAOYSA-N
MW256.25 g/mol
LogP0.86
Rot. Bonds6

About methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate

methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate (PubChem CID 122501384) has the molecular formula C12H16O6 and a molecular weight of 256.25 g/mol. Its IUPAC name is methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate
PubChem CID122501384
Molecular FormulaC12H16O6
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Namemethyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OCCO)c(OC)c1
InChIInChI=1S/C12H16O6/c1-15-9-6-8(12(14)17-3)7-10(16-2)11(9)18-5-4-13/h6-7,13H,4-5H2,1-3H3
InChIKeyLSBXFKVFFMGBJJ-UHFFFAOYSA-N
XLogP0.86
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(2-cyclopentylethoxy)-3,5-dimethoxybenzoate
CID 10447980
methyl 3,4,5-tripropoxybenzoate
CID 19820325
methyl 4-(2-aminoethoxy)-3-chloro-5-methoxybenzoate
CID 117053288
3-[2,3-bis(3-azaniumylpropoxy)-5-methoxycarbonylphenoxy]propylazanium
CID 102410826
1,5-bis[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]penta-1,4-dien-3-one
CID 67519396
methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate
CID 58976806
methyl 4-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]benzoate
CID 170457460
methyl 3-bromo-5-methoxy-4-(2-phenylethoxy)benzoate
CID 137376001
methyl 4-bromo-3-(hydroxymethyl)-5-methoxybenzoate
CID 67562567
methyl 3-(2-hydroxypropan-2-yl)-4,5-dimethoxybenzoate
CID 117388803
methyl 3-iodo-5-methoxy-4-phenylmethoxybenzoate
CID 91689901
methyl 4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate
CID 18981335

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate?
The IUPAC name of methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate (CID 122501384) is methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate.
What is the SMILES notation for methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate?
The canonical SMILES for methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate is COC(=O)c1cc(OC)c(OCCO)c(OC)c1.
What is the InChIKey of methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate?
The InChIKey is LSBXFKVFFMGBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O6/c1-15-9-6-8(12(14)17-3)7-10(16-2)11(9)18-5-4-13/h6-7,13H,4-5H2,1-3H3.
What are the key properties of methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate?
methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate has a molecular weight of 256.25 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate is sourced from PubChem (CID 122501384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).