2-hydroxy-5-[2-(4-hydroxyphenoxy)carbonyloxyacetyl]benzoic acid

C16H12O8 — CID 137390788

IUPAC2-hydroxy-5-[2-(4-hydroxyphenoxy)carbonyloxyacetyl]benzoic acid
SMILESO=C(OCC(=O)c1ccc(O)c(C(=O)O)c1)Oc1ccc(O)cc1
InChIInChI=1S/C16H12O8/c17-10-2-4-11(5-3-10)24-16(22)23-8-14(19)9-1-6-13(18)12(7-9)15(20)21/h1-7,17-18H,8H2,(H,20,21)
InChIKeyPZLQVAXKSOAZEW-UHFFFAOYSA-N
MW332.26 g/mol
LogP2.19
Rot. Bonds5

About 2-hydroxy-5-[2-(4-hydroxyphenoxy)carbonyloxyacetyl]benzoic acid

2-hydroxy-5-[2-(4-hydroxyphenoxy)carbonyloxyacetyl]benzoic acid (PubChem CID 137390788) has the molecular formula C16H12O8 and a molecular weight of 332.26 g/mol. Its IUPAC name is 2-hydroxy-5-[2-(4-hydroxyphenoxy)carbonyloxyacetyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[2-(4-hydroxyphenoxy)carbonyloxyacetyl]benzoic acid
PubChem CID137390788
Molecular FormulaC16H12O8
Molecular Weight332.26 g/mol
Exact Mass332.05
IUPAC Name2-hydroxy-5-[2-(4-hydroxyphenoxy)carbonyloxyacetyl]benzoic acid
SMILESO=C(OCC(=O)c1ccc(O)c(C(=O)O)c1)Oc1ccc(O)cc1
InChIInChI=1S/C16H12O8/c17-10-2-4-11(5-3-10)24-16(22)23-8-14(19)9-1-6-13(18)12(7-9)15(20)21/h1-7,17-18H,8H2,(H,20,21)
InChIKeyPZLQVAXKSOAZEW-UHFFFAOYSA-N
XLogP2.19
TPSA130.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

4-hydroxybenzene-1,3-dicarboxylic acid
CID 161113247
5-[1-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid
CID 90286784
[2-(4-benzoyloxyphenyl)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 1218417
2,5-dihydroxybenzoic acid;dihydrate
CID 140769659
strontium;2,5-dihydroxybenzoic acid;hydride
CID 173389066
2,5-dihydroxybenzoic acid;methanol
CID 174970806
5-[2-(tert-butylamino)acetyl]-2-hydroxybenzoic acid
CID 170132447
benzene-1,4-diol;tris(2-hydroxybenzoic acid);phenyl 2-hydroxybenzoate
CID 161221289
[2-(3,4-difluorophenyl)-2-oxoethyl] 4-hydroxybenzoate
CID 2624761
[2-(4-methoxyphenyl)-2-oxoethyl] 5-bromo-2-hydroxybenzoate
CID 7365642
[2-(4-bromophenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 7442136
4-(2-aminoacetyl)oxy-2-hydroxybenzoic acid
CID 54434813

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[2-(4-hydroxyphenoxy)carbonyloxyacetyl]benzoic acid?
The IUPAC name of 2-hydroxy-5-[2-(4-hydroxyphenoxy)carbonyloxyacetyl]benzoic acid (CID 137390788) is 2-hydroxy-5-[2-(4-hydroxyphenoxy)carbonyloxyacetyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[2-(4-hydroxyphenoxy)carbonyloxyacetyl]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[2-(4-hydroxyphenoxy)carbonyloxyacetyl]benzoic acid is O=C(OCC(=O)c1ccc(O)c(C(=O)O)c1)Oc1ccc(O)cc1.
What is the InChIKey of 2-hydroxy-5-[2-(4-hydroxyphenoxy)carbonyloxyacetyl]benzoic acid?
The InChIKey is PZLQVAXKSOAZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O8/c17-10-2-4-11(5-3-10)24-16(22)23-8-14(19)9-1-6-13(18)12(7-9)15(20)21/h1-7,17-18H,8H2,(H,20,21).
What are the key properties of 2-hydroxy-5-[2-(4-hydroxyphenoxy)carbonyloxyacetyl]benzoic acid?
2-hydroxy-5-[2-(4-hydroxyphenoxy)carbonyloxyacetyl]benzoic acid has a molecular weight of 332.26 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[2-(4-hydroxyphenoxy)carbonyloxyacetyl]benzoic acid is sourced from PubChem (CID 137390788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).