methyl 2-hydroxy-5-(1,2,3-trihydroxypropyl)benzoate

C11H14O6 — CID 170818438

IUPACmethyl 2-hydroxy-5-(1,2,3-trihydroxypropyl)benzoate
SMILESCOC(=O)c1cc(C(O)C(O)CO)ccc1O
InChIInChI=1S/C11H14O6/c1-17-11(16)7-4-6(2-3-8(7)13)10(15)9(14)5-12/h2-4,9-10,12-15H,5H2,1H3
InChIKeyGOOMZPLRNPFLOB-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.43
Rot. Bonds4

About methyl 2-hydroxy-5-(1,2,3-trihydroxypropyl)benzoate

methyl 2-hydroxy-5-(1,2,3-trihydroxypropyl)benzoate (PubChem CID 170818438) has the molecular formula C11H14O6 and a molecular weight of 242.23 g/mol. Its IUPAC name is methyl 2-hydroxy-5-(1,2,3-trihydroxypropyl)benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-5-(1,2,3-trihydroxypropyl)benzoate
PubChem CID170818438
Molecular FormulaC11H14O6
Molecular Weight242.23 g/mol
Exact Mass242.08
IUPAC Namemethyl 2-hydroxy-5-(1,2,3-trihydroxypropyl)benzoate
SMILESCOC(=O)c1cc(C(O)C(O)CO)ccc1O
InChIInChI=1S/C11H14O6/c1-17-11(16)7-4-6(2-3-8(7)13)10(15)9(14)5-12/h2-4,9-10,12-15H,5H2,1H3
InChIKeyGOOMZPLRNPFLOB-UHFFFAOYSA-N
XLogP-0.43
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-(1,2-dihydroxy-4-methoxy-4-oxobutyl)-2-hydroxybenzoate
CID 171896189
methyl 4-(3-amino-1,2-dihydroxypropyl)-2-hydroxybenzoate
CID 170828633
methyl 2-chloro-5-(1,2,4-trihydroxybutyl)benzoate
CID 171872848
methyl 2-hydroxy-5-[hydroxy(propylamino)methyl]benzoate
CID 166872747
methyl 5-[(1R)-1-aminoethyl]-2-hydroxybenzoate
CID 131104948
methyl 3-(1,2,3-trihydroxypropyl)benzoate
CID 170818132
1-[5-(1,2-dihydroxy-3-sulfanylpropyl)-2-hydroxyphenyl]ethanone
CID 170820160
1-[5-[1,2-dihydroxy-4-(methylamino)butyl]-2-hydroxyphenyl]ethanone
CID 171890501
5-[1,2-dihydroxy-3-(methylamino)propyl]-2-hydroxybenzamide
CID 171858406
1-(4-amino-3-hydroxyphenyl)propane-1,2,3-triol
CID 170817629
methyl 5-(4-ethoxy-1,2-dihydroxy-4-oxobutyl)-2-fluorobenzoate
CID 171897931
methyl 3,4,5-trihydroxybenzoate;pentane-1,2,3,4,5-pentol
CID 126649487

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-5-(1,2,3-trihydroxypropyl)benzoate?
The IUPAC name of methyl 2-hydroxy-5-(1,2,3-trihydroxypropyl)benzoate (CID 170818438) is methyl 2-hydroxy-5-(1,2,3-trihydroxypropyl)benzoate.
What is the SMILES notation for methyl 2-hydroxy-5-(1,2,3-trihydroxypropyl)benzoate?
The canonical SMILES for methyl 2-hydroxy-5-(1,2,3-trihydroxypropyl)benzoate is COC(=O)c1cc(C(O)C(O)CO)ccc1O.
What is the InChIKey of methyl 2-hydroxy-5-(1,2,3-trihydroxypropyl)benzoate?
The InChIKey is GOOMZPLRNPFLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O6/c1-17-11(16)7-4-6(2-3-8(7)13)10(15)9(14)5-12/h2-4,9-10,12-15H,5H2,1H3.
What are the key properties of methyl 2-hydroxy-5-(1,2,3-trihydroxypropyl)benzoate?
methyl 2-hydroxy-5-(1,2,3-trihydroxypropyl)benzoate has a molecular weight of 242.23 g/mol, XLogP of -0.43, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-5-(1,2,3-trihydroxypropyl)benzoate is sourced from PubChem (CID 170818438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).