2,3,4,5-tetraethoxy-6-hydroxybenzoic acid

C15H22O7 — CID 87861005

IUPAC2,3,4,5-tetraethoxy-6-hydroxybenzoic acid
SMILESCCOc1c(O)c(C(=O)O)c(OCC)c(OCC)c1OCC
InChIInChI=1S/C15H22O7/c1-5-19-11-9(15(17)18)10(16)12(20-6-2)14(22-8-4)13(11)21-7-3/h16H,5-8H2,1-4H3,(H,17,18)
InChIKeyJYFBQLHFJWBGFQ-UHFFFAOYSA-N
MW314.33 g/mol
LogP2.69
Rot. Bonds9

About 2,3,4,5-tetraethoxy-6-hydroxybenzoic acid

2,3,4,5-tetraethoxy-6-hydroxybenzoic acid (PubChem CID 87861005) has the molecular formula C15H22O7 and a molecular weight of 314.33 g/mol. Its IUPAC name is 2,3,4,5-tetraethoxy-6-hydroxybenzoic acid.

Molecular Properties

Compound Name2,3,4,5-tetraethoxy-6-hydroxybenzoic acid
PubChem CID87861005
Molecular FormulaC15H22O7
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Name2,3,4,5-tetraethoxy-6-hydroxybenzoic acid
SMILESCCOc1c(O)c(C(=O)O)c(OCC)c(OCC)c1OCC
InChIInChI=1S/C15H22O7/c1-5-19-11-9(15(17)18)10(16)12(20-6-2)14(22-8-4)13(11)21-7-3/h16H,5-8H2,1-4H3,(H,17,18)
InChIKeyJYFBQLHFJWBGFQ-UHFFFAOYSA-N
XLogP2.69
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,3,4-triethoxy-5,6-dihydroxybenzoic acid
CID 87861037
5-butoxy-2,3,4-triethoxy-6-hydroxybenzoic acid
CID 87859355
5-ethoxy-2,3,4-trihexoxy-6-hydroxybenzoic acid
CID 87859707
2,3,4-triheptoxy-5-hexoxy-6-hydroxybenzoic acid
CID 87860666
2-hydroxy-4,5,6-tri(nonoxy)-3-pentoxybenzoic acid
CID 87860844
5-decoxy-2,3,4-trihexoxy-6-hydroxybenzoic acid
CID 87860478
3-ethoxy-2-hydroxy-4,5,6-triiodobenzoic acid
CID 87859607
2-hydroxy-3-nonoxy-4,5,6-tripropoxybenzoic acid
CID 87859914
3-ethoxy-2-hydroxy-4-prop-2-enoyloxynaphthalene-1-carboxylic acid
CID 54509278
2-(3-aminopropyl)-3,5,6-triethoxyterephthalic acid
CID 172709282
(3,4,5-triethoxy-2-hydroxy-6-propylphenyl) hydrogen carbonate
CID 87860580
(2,3-diethoxy-6-hydroxy-4,5-dimethylphenyl) hydrogen carbonate
CID 87859446

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetraethoxy-6-hydroxybenzoic acid?
The IUPAC name of 2,3,4,5-tetraethoxy-6-hydroxybenzoic acid (CID 87861005) is 2,3,4,5-tetraethoxy-6-hydroxybenzoic acid.
What is the SMILES notation for 2,3,4,5-tetraethoxy-6-hydroxybenzoic acid?
The canonical SMILES for 2,3,4,5-tetraethoxy-6-hydroxybenzoic acid is CCOc1c(O)c(C(=O)O)c(OCC)c(OCC)c1OCC.
What is the InChIKey of 2,3,4,5-tetraethoxy-6-hydroxybenzoic acid?
The InChIKey is JYFBQLHFJWBGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O7/c1-5-19-11-9(15(17)18)10(16)12(20-6-2)14(22-8-4)13(11)21-7-3/h16H,5-8H2,1-4H3,(H,17,18).
What are the key properties of 2,3,4,5-tetraethoxy-6-hydroxybenzoic acid?
2,3,4,5-tetraethoxy-6-hydroxybenzoic acid has a molecular weight of 314.33 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetraethoxy-6-hydroxybenzoic acid is sourced from PubChem (CID 87861005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).