3-hydroxy-5-(2-hydroxyethoxycarbonyl)benzoic acid

C10H10O6 — CID 126612228

IUPAC3-hydroxy-5-(2-hydroxyethoxycarbonyl)benzoic acid
SMILESO=C(O)c1cc(O)cc(C(=O)OCCO)c1
InChIInChI=1S/C10H10O6/c11-1-2-16-10(15)7-3-6(9(13)14)4-8(12)5-7/h3-5,11-12H,1-2H2,(H,13,14)
InChIKeyLTZVPONLYLOZGG-UHFFFAOYSA-N
MW226.18 g/mol
LogP0.24
Rot. Bonds4

About 3-hydroxy-5-(2-hydroxyethoxycarbonyl)benzoic acid

3-hydroxy-5-(2-hydroxyethoxycarbonyl)benzoic acid (PubChem CID 126612228) has the molecular formula C10H10O6 and a molecular weight of 226.18 g/mol. Its IUPAC name is 3-hydroxy-5-(2-hydroxyethoxycarbonyl)benzoic acid.

Molecular Properties

Compound Name3-hydroxy-5-(2-hydroxyethoxycarbonyl)benzoic acid
PubChem CID126612228
Molecular FormulaC10H10O6
Molecular Weight226.18 g/mol
Exact Mass226.05
IUPAC Name3-hydroxy-5-(2-hydroxyethoxycarbonyl)benzoic acid
SMILESO=C(O)c1cc(O)cc(C(=O)OCCO)c1
InChIInChI=1S/C10H10O6/c11-1-2-16-10(15)7-3-6(9(13)14)4-8(12)5-7/h3-5,11-12H,1-2H2,(H,13,14)
InChIKeyLTZVPONLYLOZGG-UHFFFAOYSA-N
XLogP0.24
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

bis(3,5-dihydroxybenzoic acid);ethane-1,2-diol
CID 68729740
CID 57489105
CID 57489105
bis(iodomethyl) 5-hydroxybenzene-1,3-dicarboxylate
CID 130328658
3,5-dihydroxybenzoic acid
CID 66745884
lithium;dimethyl 5-hydroxybenzene-1,3-dicarboxylate;5-hydroxybenzene-1,3-dicarboxylic acid;hydroxide
CID 157422801
potassium 3-(2-hydroxyethoxycarbonyl)-5-sulfobenzoate
CID 141132154
2-hydroxyethyl 4-chloro-3,5-dimethylbenzoate
CID 177306970
3,5-bis(2-hydroxyethoxycarbonyl)benzenesulfonic acid;tetraphenylphosphanium
CID 87592821
ethane-1,2-diol;4-hydroxybenzoic acid;2-(4-hydroxybenzoyl)oxyethyl 4-hydroxybenzoate;sulfuric acid
CID 157383932
5-(2-methylpropoxycarbonyl)benzene-1,3-dicarboxylic acid
CID 91210060
3-[4-(3-carboxybenzoyl)oxybutoxycarbonyl]benzoic acid
CID 22226160
3-(dimethylamino)propyl 3,5-dihydroxybenzoate
CID 178080897

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(2-hydroxyethoxycarbonyl)benzoic acid?
The IUPAC name of 3-hydroxy-5-(2-hydroxyethoxycarbonyl)benzoic acid (CID 126612228) is 3-hydroxy-5-(2-hydroxyethoxycarbonyl)benzoic acid.
What is the SMILES notation for 3-hydroxy-5-(2-hydroxyethoxycarbonyl)benzoic acid?
The canonical SMILES for 3-hydroxy-5-(2-hydroxyethoxycarbonyl)benzoic acid is O=C(O)c1cc(O)cc(C(=O)OCCO)c1.
What is the InChIKey of 3-hydroxy-5-(2-hydroxyethoxycarbonyl)benzoic acid?
The InChIKey is LTZVPONLYLOZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O6/c11-1-2-16-10(15)7-3-6(9(13)14)4-8(12)5-7/h3-5,11-12H,1-2H2,(H,13,14).
What are the key properties of 3-hydroxy-5-(2-hydroxyethoxycarbonyl)benzoic acid?
3-hydroxy-5-(2-hydroxyethoxycarbonyl)benzoic acid has a molecular weight of 226.18 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(2-hydroxyethoxycarbonyl)benzoic acid is sourced from PubChem (CID 126612228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).