methyl 4-(2,3-dihydroxypropoxy)-2-hydroxybenzoate

C11H14O6 — CID 44521947

IUPACmethyl 4-(2,3-dihydroxypropoxy)-2-hydroxybenzoate
SMILESCOC(=O)c1ccc(OCC(O)CO)cc1O
InChIInChI=1S/C11H14O6/c1-16-11(15)9-3-2-8(4-10(9)14)17-6-7(13)5-12/h2-4,7,12-14H,5-6H2,1H3
InChIKeySFVJZZMFDHDCEL-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.09
Rot. Bonds5

About methyl 4-(2,3-dihydroxypropoxy)-2-hydroxybenzoate

methyl 4-(2,3-dihydroxypropoxy)-2-hydroxybenzoate (PubChem CID 44521947) has the molecular formula C11H14O6 and a molecular weight of 242.23 g/mol. Its IUPAC name is methyl 4-(2,3-dihydroxypropoxy)-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 4-(2,3-dihydroxypropoxy)-2-hydroxybenzoate
PubChem CID44521947
Molecular FormulaC11H14O6
Molecular Weight242.23 g/mol
Exact Mass242.08
IUPAC Namemethyl 4-(2,3-dihydroxypropoxy)-2-hydroxybenzoate
SMILESCOC(=O)c1ccc(OCC(O)CO)cc1O
InChIInChI=1S/C11H14O6/c1-16-11(15)9-3-2-8(4-10(9)14)17-6-7(13)5-12/h2-4,7,12-14H,5-6H2,1H3
InChIKeySFVJZZMFDHDCEL-UHFFFAOYSA-N
XLogP-0.09
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

bis[4-(2,3-dihydroxypropoxy)-2-hydroxyphenyl]methanone
CID 86172123
methyl 2-hydroxy-4-(2-hydroxyethoxy)benzoate
CID 586358
methyl 6-(2,3-dihydroxypropoxy)naphthalene-2-carboxylate
CID 67087010
methyl 4-[4-(2,3-dihydroxypropoxy)phenyl]benzoate
CID 89447868
3-(4-hydroxy-3-methoxyphenoxy)propane-1,2-diol;sulfuric acid
CID 175056796
dimethyl 4-(2,2-dimethoxyethoxy)benzene-1,2-dicarboxylate
CID 155584738
methyl 4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-2-hydroxyethoxy]-2-hydroxybenzoate
CID 19029756
methyl 2-hydroxy-4-sulfooxybenzoate
CID 102439908
1-[4-(2,2-dimethoxyethoxy)-2-hydroxyphenyl]ethanone
CID 91620245
1-[2-chloro-4-(2,3-dihydroxypropoxy)phenyl]butan-1-one
CID 154112180
2-hydroxy-4-(2-methylpropoxy)benzoic acid
CID 154092894
dimethyl benzene-1,2-dicarboxylate;propane-1,2,3-triol
CID 66751343

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,3-dihydroxypropoxy)-2-hydroxybenzoate?
The IUPAC name of methyl 4-(2,3-dihydroxypropoxy)-2-hydroxybenzoate (CID 44521947) is methyl 4-(2,3-dihydroxypropoxy)-2-hydroxybenzoate.
What is the SMILES notation for methyl 4-(2,3-dihydroxypropoxy)-2-hydroxybenzoate?
The canonical SMILES for methyl 4-(2,3-dihydroxypropoxy)-2-hydroxybenzoate is COC(=O)c1ccc(OCC(O)CO)cc1O.
What is the InChIKey of methyl 4-(2,3-dihydroxypropoxy)-2-hydroxybenzoate?
The InChIKey is SFVJZZMFDHDCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O6/c1-16-11(15)9-3-2-8(4-10(9)14)17-6-7(13)5-12/h2-4,7,12-14H,5-6H2,1H3.
What are the key properties of methyl 4-(2,3-dihydroxypropoxy)-2-hydroxybenzoate?
methyl 4-(2,3-dihydroxypropoxy)-2-hydroxybenzoate has a molecular weight of 242.23 g/mol, XLogP of -0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,3-dihydroxypropoxy)-2-hydroxybenzoate is sourced from PubChem (CID 44521947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).