methyl 2-hydroxy-4-(2-hydroxyethoxy)benzoate

C10H12O5 — CID 586358

IUPACmethyl 2-hydroxy-4-(2-hydroxyethoxy)benzoate
SMILESCOC(=O)c1ccc(OCCO)cc1O
InChIInChI=1S/C10H12O5/c1-14-10(13)8-3-2-7(6-9(8)12)15-5-4-11/h2-3,6,11-12H,4-5H2,1H3
InChIKeyMSVWMHXBXJHRNN-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.55
Rot. Bonds4

About methyl 2-hydroxy-4-(2-hydroxyethoxy)benzoate

methyl 2-hydroxy-4-(2-hydroxyethoxy)benzoate (PubChem CID 586358) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is methyl 2-hydroxy-4-(2-hydroxyethoxy)benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-4-(2-hydroxyethoxy)benzoate
PubChem CID586358
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Namemethyl 2-hydroxy-4-(2-hydroxyethoxy)benzoate
SMILESCOC(=O)c1ccc(OCCO)cc1O
InChIInChI=1S/C10H12O5/c1-14-10(13)8-3-2-7(6-9(8)12)15-5-4-11/h2-3,6,11-12H,4-5H2,1H3
InChIKeyMSVWMHXBXJHRNN-UHFFFAOYSA-N
XLogP0.55
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(2,3-dihydroxypropoxy)-2-hydroxybenzoate
CID 44521947
methyl 2-hydroxy-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate
CID 3316729
dimethyl 4-[2-(2-hydroxyethoxy)ethoxy]benzene-1,2-dicarboxylate;dimethyl 4-(2-propoxyethoxy)benzene-1,2-dicarboxylate
CID 159988361
methyl 2-hydroxy-4-sulfooxybenzoate
CID 102439908
methyl 4-[6-(2,3-dimethoxyphenyl)hexoxy]-2-hydroxybenzoate
CID 14986338
methyl 2-amino-4-(2-methoxyethoxy)benzoate
CID 166066284
methyl 4-[4-[4-methoxycarbonyl-3-(methylamino)phenoxy]butoxy]-2-(methylamino)benzoate
CID 162752160
methyl 5-decoxy-2-hydroxybenzoate
CID 54520476
4-[3-(4-carboxy-3-hydroxyphenoxy)propoxy]-2-hydroxybenzoic acid
CID 71341364
2-(4-methoxyphenoxy)ethyl 2,4-dihydroxybenzoate
CID 2647186
methyl 4-(2-aminoethoxy)-2-fluorobenzoate;hydrochloride
CID 69211241
dimethyl 4-(7-bromoheptoxy)benzene-1,2-dicarboxylate
CID 167279907

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-4-(2-hydroxyethoxy)benzoate?
The IUPAC name of methyl 2-hydroxy-4-(2-hydroxyethoxy)benzoate (CID 586358) is methyl 2-hydroxy-4-(2-hydroxyethoxy)benzoate.
What is the SMILES notation for methyl 2-hydroxy-4-(2-hydroxyethoxy)benzoate?
The canonical SMILES for methyl 2-hydroxy-4-(2-hydroxyethoxy)benzoate is COC(=O)c1ccc(OCCO)cc1O.
What is the InChIKey of methyl 2-hydroxy-4-(2-hydroxyethoxy)benzoate?
The InChIKey is MSVWMHXBXJHRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-14-10(13)8-3-2-7(6-9(8)12)15-5-4-11/h2-3,6,11-12H,4-5H2,1H3.
What are the key properties of methyl 2-hydroxy-4-(2-hydroxyethoxy)benzoate?
methyl 2-hydroxy-4-(2-hydroxyethoxy)benzoate has a molecular weight of 212.20 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-4-(2-hydroxyethoxy)benzoate is sourced from PubChem (CID 586358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).