methyl 4-hydroxy-5-(2-hydroxyethyl)-2-methoxybenzoate

C11H14O5 — CID 117325036

IUPACmethyl 4-hydroxy-5-(2-hydroxyethyl)-2-methoxybenzoate
SMILESCOC(=O)c1cc(CCO)c(O)cc1OC
InChIInChI=1S/C11H14O5/c1-15-10-6-9(13)7(3-4-12)5-8(10)11(14)16-2/h5-6,12-13H,3-4H2,1-2H3
InChIKeyAFYWTYOKCLGQFB-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.72
Rot. Bonds4

About methyl 4-hydroxy-5-(2-hydroxyethyl)-2-methoxybenzoate

methyl 4-hydroxy-5-(2-hydroxyethyl)-2-methoxybenzoate (PubChem CID 117325036) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl 4-hydroxy-5-(2-hydroxyethyl)-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-5-(2-hydroxyethyl)-2-methoxybenzoate
PubChem CID117325036
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Namemethyl 4-hydroxy-5-(2-hydroxyethyl)-2-methoxybenzoate
SMILESCOC(=O)c1cc(CCO)c(O)cc1OC
InChIInChI=1S/C11H14O5/c1-15-10-6-9(13)7(3-4-12)5-8(10)11(14)16-2/h5-6,12-13H,3-4H2,1-2H3
InChIKeyAFYWTYOKCLGQFB-UHFFFAOYSA-N
XLogP0.72
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-5-(3-hydroxypropyl)-2-methoxybenzoic acid
CID 117325025
methyl 4-hydroxy-5-[(1-hydroxycyclopropyl)methyl]-2-methoxybenzoate
CID 117383572
methyl 5-(2-hydroxyethyl)-2,4-dimethylbenzoate
CID 117297589
methyl 4-fluoro-5-(2-hydroxyethyl)-2-methylbenzoate
CID 117302808
methyl 5-(2-aminoethyl)-2,4-dihydroxybenzoate
CID 117301162
methyl 4-hydroxy-2-methoxy-5-propan-2-ylbenzoate
CID 58236464
5-chloro-2-(2-hydroxyethyl)-4-methoxyphenol
CID 117291172
methyl 3-(2-hydroxyethyl)-4-methoxybenzoate
CID 10608505
methyl 3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate
CID 12862928
2-bromo-1-[2-hydroxy-5-(2-hydroxyethyl)-4-methoxyphenyl]ethanone;1-[2-hydroxy-5-(2-hydroxyethyl)-4-methoxyphenyl]ethanone
CID 160727105
3-(4-hydroxy-2-methoxy-5-methoxycarbonylphenyl)-2-methylpropanoic acid
CID 117424095
methyl 4-hydroxy-5-(1-hydroxy-2-methoxy-2-oxoethyl)-2-methoxybenzoate
CID 117428591

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-5-(2-hydroxyethyl)-2-methoxybenzoate?
The IUPAC name of methyl 4-hydroxy-5-(2-hydroxyethyl)-2-methoxybenzoate (CID 117325036) is methyl 4-hydroxy-5-(2-hydroxyethyl)-2-methoxybenzoate.
What is the SMILES notation for methyl 4-hydroxy-5-(2-hydroxyethyl)-2-methoxybenzoate?
The canonical SMILES for methyl 4-hydroxy-5-(2-hydroxyethyl)-2-methoxybenzoate is COC(=O)c1cc(CCO)c(O)cc1OC.
What is the InChIKey of methyl 4-hydroxy-5-(2-hydroxyethyl)-2-methoxybenzoate?
The InChIKey is AFYWTYOKCLGQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-15-10-6-9(13)7(3-4-12)5-8(10)11(14)16-2/h5-6,12-13H,3-4H2,1-2H3.
What are the key properties of methyl 4-hydroxy-5-(2-hydroxyethyl)-2-methoxybenzoate?
methyl 4-hydroxy-5-(2-hydroxyethyl)-2-methoxybenzoate has a molecular weight of 226.23 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-5-(2-hydroxyethyl)-2-methoxybenzoate is sourced from PubChem (CID 117325036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).