methyl 2-ethoxy-3,5-dihydroxybenzoate

C10H12O5 — CID 141013441

IUPACmethyl 2-ethoxy-3,5-dihydroxybenzoate
SMILESCCOc1c(O)cc(O)cc1C(=O)OC
InChIInChI=1S/C10H12O5/c1-3-15-9-7(10(13)14-2)4-6(11)5-8(9)12/h4-5,11-12H,3H2,1-2H3
InChIKeyUUKXEGBKCPJYRR-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.28
Rot. Bonds3

About methyl 2-ethoxy-3,5-dihydroxybenzoate

methyl 2-ethoxy-3,5-dihydroxybenzoate (PubChem CID 141013441) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is methyl 2-ethoxy-3,5-dihydroxybenzoate.

Molecular Properties

Compound Namemethyl 2-ethoxy-3,5-dihydroxybenzoate
PubChem CID141013441
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Namemethyl 2-ethoxy-3,5-dihydroxybenzoate
SMILESCCOc1c(O)cc(O)cc1C(=O)OC
InChIInChI=1S/C10H12O5/c1-3-15-9-7(10(13)14-2)4-6(11)5-8(9)12/h4-5,11-12H,3H2,1-2H3
InChIKeyUUKXEGBKCPJYRR-UHFFFAOYSA-N
XLogP1.28
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-ethoxy-5-hydroxy-4-methoxybenzoate
CID 177233535
methyl 2-ethoxy-3-hydroxy-5-thiophen-2-ylbenzoate
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methyl 1,2,6,7-tetraethoxyphenanthrene-9-carboxylate
CID 162515113
methyl 3-bromo-5-(bromomethyl)-2-ethoxybenzoate
CID 146456843
methyl 2-ethoxy-3-methoxybenzoate
CID 45094190
3,4,5-triethoxyphenol
CID 19754898
methyl 7-chloro-4-ethoxy-2H-benzotriazole-5-carboxylate
CID 10587144
methyl 2-ethoxy-3-fluoro-5-fluorosulfonylbenzoate
CID 165460206
ethyl 2,3,5-trihydroxybenzoate
CID 139843169
methyl 2-ethoxy-4-(2-methoxypropan-2-yl)benzoate
CID 67071349
4-ethoxy-3,5-dihydroxybenzoic acid
CID 55283148
bromoethane;dimethyl 5-hydroxybenzene-1,3-dicarboxylate
CID 175420883

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethoxy-3,5-dihydroxybenzoate?
The IUPAC name of methyl 2-ethoxy-3,5-dihydroxybenzoate (CID 141013441) is methyl 2-ethoxy-3,5-dihydroxybenzoate.
What is the SMILES notation for methyl 2-ethoxy-3,5-dihydroxybenzoate?
The canonical SMILES for methyl 2-ethoxy-3,5-dihydroxybenzoate is CCOc1c(O)cc(O)cc1C(=O)OC.
What is the InChIKey of methyl 2-ethoxy-3,5-dihydroxybenzoate?
The InChIKey is UUKXEGBKCPJYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-3-15-9-7(10(13)14-2)4-6(11)5-8(9)12/h4-5,11-12H,3H2,1-2H3.
What are the key properties of methyl 2-ethoxy-3,5-dihydroxybenzoate?
methyl 2-ethoxy-3,5-dihydroxybenzoate has a molecular weight of 212.20 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethoxy-3,5-dihydroxybenzoate is sourced from PubChem (CID 141013441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).