2-(2-carboxy-3-hydroxyphenoxy)-6-hydroxybenzoic acid

C14H10O7 — CID 18628402

IUPAC2-(2-carboxy-3-hydroxyphenoxy)-6-hydroxybenzoic acid
SMILESO=C(O)c1c(O)cccc1Oc1cccc(O)c1C(=O)O
InChIInChI=1S/C14H10O7/c15-7-3-1-5-9(11(7)13(17)18)21-10-6-2-4-8(16)12(10)14(19)20/h1-6,15-16H,(H,17,18)(H,19,20)
InChIKeyAAXYVDGCPLPTJW-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.29
Rot. Bonds4

About 2-(2-carboxy-3-hydroxyphenoxy)-6-hydroxybenzoic acid

2-(2-carboxy-3-hydroxyphenoxy)-6-hydroxybenzoic acid (PubChem CID 18628402) has the molecular formula C14H10O7 and a molecular weight of 290.23 g/mol. Its IUPAC name is 2-(2-carboxy-3-hydroxyphenoxy)-6-hydroxybenzoic acid.

Molecular Properties

Compound Name2-(2-carboxy-3-hydroxyphenoxy)-6-hydroxybenzoic acid
PubChem CID18628402
Molecular FormulaC14H10O7
Molecular Weight290.23 g/mol
Exact Mass290.04
IUPAC Name2-(2-carboxy-3-hydroxyphenoxy)-6-hydroxybenzoic acid
SMILESO=C(O)c1c(O)cccc1Oc1cccc(O)c1C(=O)O
InChIInChI=1S/C14H10O7/c15-7-3-1-5-9(11(7)13(17)18)21-10-6-2-4-8(16)12(10)14(19)20/h1-6,15-16H,(H,17,18)(H,19,20)
InChIKeyAAXYVDGCPLPTJW-UHFFFAOYSA-N
XLogP2.29
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-carboxyoxy-6-hydroxybenzoic acid
CID 18430416
2,6-dihydroxybenzoic acid;hydrate
CID 169225453
2-hydroxy-6-(2-methoxy-2-oxoethoxy)benzoic acid
CID 21250849
2,6-diacetyloxybenzoic acid
CID 10007406
3-[2-[2-[2-(2,3-dicarboxyphenoxy)phenyl]ethynyl]phenoxy]phthalic acid
CID 22156364
2-carboxy-3-hydroxyphenolate
CID 54676638
2-iodo-6-phenoxybenzoic acid
CID 139966933
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
bis(2-carboxy-3-hydroxyphenolate);iron(2+)
CID 160551769
2,6-bis(3-aminophenoxy)benzoic acid
CID 154115522
2-chloro-6-(2-methylsulfanylphenoxy)benzoic acid
CID 63648866
2-bromo-6-(3-chloro-2-fluorophenoxy)benzoic acid
CID 114888729

Frequently Asked Questions

What is the IUPAC name of 2-(2-carboxy-3-hydroxyphenoxy)-6-hydroxybenzoic acid?
The IUPAC name of 2-(2-carboxy-3-hydroxyphenoxy)-6-hydroxybenzoic acid (CID 18628402) is 2-(2-carboxy-3-hydroxyphenoxy)-6-hydroxybenzoic acid.
What is the SMILES notation for 2-(2-carboxy-3-hydroxyphenoxy)-6-hydroxybenzoic acid?
The canonical SMILES for 2-(2-carboxy-3-hydroxyphenoxy)-6-hydroxybenzoic acid is O=C(O)c1c(O)cccc1Oc1cccc(O)c1C(=O)O.
What is the InChIKey of 2-(2-carboxy-3-hydroxyphenoxy)-6-hydroxybenzoic acid?
The InChIKey is AAXYVDGCPLPTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O7/c15-7-3-1-5-9(11(7)13(17)18)21-10-6-2-4-8(16)12(10)14(19)20/h1-6,15-16H,(H,17,18)(H,19,20).
What are the key properties of 2-(2-carboxy-3-hydroxyphenoxy)-6-hydroxybenzoic acid?
2-(2-carboxy-3-hydroxyphenoxy)-6-hydroxybenzoic acid has a molecular weight of 290.23 g/mol, XLogP of 2.29, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carboxy-3-hydroxyphenoxy)-6-hydroxybenzoic acid is sourced from PubChem (CID 18628402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).