2-(carboxymethyl)-4,6-dihydroxybenzoic acid

C9H8O6 — CID 24972403

IUPAC2-(carboxymethyl)-4,6-dihydroxybenzoic acid
SMILESO=C(O)Cc1cc(O)cc(O)c1C(=O)O
InChIInChI=1S/C9H8O6/c10-5-1-4(2-7(12)13)8(9(14)15)6(11)3-5/h1,3,10-11H,2H2,(H,12,13)(H,14,15)
InChIKeyUQKJJNNRZRKKLA-UHFFFAOYSA-N
MW212.16 g/mol
LogP0.42
Rot. Bonds3

About 2-(carboxymethyl)-4,6-dihydroxybenzoic acid

2-(carboxymethyl)-4,6-dihydroxybenzoic acid (PubChem CID 24972403) has the molecular formula C9H8O6 and a molecular weight of 212.16 g/mol. Its IUPAC name is 2-(carboxymethyl)-4,6-dihydroxybenzoic acid.

Molecular Properties

Compound Name2-(carboxymethyl)-4,6-dihydroxybenzoic acid
PubChem CID24972403
Molecular FormulaC9H8O6
Molecular Weight212.16 g/mol
Exact Mass212.03
IUPAC Name2-(carboxymethyl)-4,6-dihydroxybenzoic acid
SMILESO=C(O)Cc1cc(O)cc(O)c1C(=O)O
InChIInChI=1S/C9H8O6/c10-5-1-4(2-7(12)13)8(9(14)15)6(11)3-5/h1,3,10-11H,2H2,(H,12,13)(H,14,15)
InChIKeyUQKJJNNRZRKKLA-UHFFFAOYSA-N
XLogP0.42
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 10589878
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2,4-dihydroxy-6-[(E)-pentadec-8-enyl]benzoic acid
CID 22665100
2-(5-hydroxy-2,3-dimethylphenyl)acetic acid
CID 118996271
2-[2-(2,4-dihydroxyphenyl)ethyl]-6-hydroxybenzoic acid
CID 24886444
1-(2,4-dihydroxy-6-propylphenyl)ethanone
CID 131973876
1,3-bis(2,4,6-trihydroxyphenyl)propan-2-one
CID 156637989
2-(4,6-dihydroxy-1-benzothiophen-3-yl)acetic acid
CID 130274825
(2,3,4,6-tetrahydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone
CID 146550128
4-hydroxy-2,6-bis(sulfanyl)benzoic acid
CID 152683614
3,4-diethyl-2,6-dihydroxybenzoic acid
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2,6-dihydroxy-4-[2-(4-hydroxyphenyl)ethyl]benzoic acid
CID 131972187

Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethyl)-4,6-dihydroxybenzoic acid?
The IUPAC name of 2-(carboxymethyl)-4,6-dihydroxybenzoic acid (CID 24972403) is 2-(carboxymethyl)-4,6-dihydroxybenzoic acid.
What is the SMILES notation for 2-(carboxymethyl)-4,6-dihydroxybenzoic acid?
The canonical SMILES for 2-(carboxymethyl)-4,6-dihydroxybenzoic acid is O=C(O)Cc1cc(O)cc(O)c1C(=O)O.
What is the InChIKey of 2-(carboxymethyl)-4,6-dihydroxybenzoic acid?
The InChIKey is UQKJJNNRZRKKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O6/c10-5-1-4(2-7(12)13)8(9(14)15)6(11)3-5/h1,3,10-11H,2H2,(H,12,13)(H,14,15).
What are the key properties of 2-(carboxymethyl)-4,6-dihydroxybenzoic acid?
2-(carboxymethyl)-4,6-dihydroxybenzoic acid has a molecular weight of 212.16 g/mol, XLogP of 0.42, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethyl)-4,6-dihydroxybenzoic acid is sourced from PubChem (CID 24972403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).