2-(2-hydroxypropanoyloxy)-3-methoxybenzoic acid

C11H12O6 — CID 117054066

IUPAC2-(2-hydroxypropanoyloxy)-3-methoxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1OC(=O)C(C)O
InChIInChI=1S/C11H12O6/c1-6(12)11(15)17-9-7(10(13)14)4-3-5-8(9)16-2/h3-6,12H,1-2H3,(H,13,14)
InChIKeyAERNHHJVDYJAKF-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.68
Rot. Bonds4

About 2-(2-hydroxypropanoyloxy)-3-methoxybenzoic acid

2-(2-hydroxypropanoyloxy)-3-methoxybenzoic acid (PubChem CID 117054066) has the molecular formula C11H12O6 and a molecular weight of 240.21 g/mol. Its IUPAC name is 2-(2-hydroxypropanoyloxy)-3-methoxybenzoic acid.

Molecular Properties

Compound Name2-(2-hydroxypropanoyloxy)-3-methoxybenzoic acid
PubChem CID117054066
Molecular FormulaC11H12O6
Molecular Weight240.21 g/mol
Exact Mass240.06
IUPAC Name2-(2-hydroxypropanoyloxy)-3-methoxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1OC(=O)C(C)O
InChIInChI=1S/C11H12O6/c1-6(12)11(15)17-9-7(10(13)14)4-3-5-8(9)16-2/h3-6,12H,1-2H3,(H,13,14)
InChIKeyAERNHHJVDYJAKF-UHFFFAOYSA-N
XLogP0.68
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
2-methoxybenzoic acid;bis(propan-2-ol)
CID 130236181
2-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoic acid
CID 43471727
2-(1-carboxyethyl)-3-methoxybenzoic acid
CID 12962431
2-methoxy-3-(2-methoxyphenyl)benzoic acid
CID 53225402
2-methoxy-3-(2-methylpropoxy)benzoic acid
CID 82161609
3-methoxy-2-[2-(3-methylbutoxy)ethoxy]benzoic acid
CID 61483895
3-methoxy-2-(2-methylprop-2-enoxy)benzoic acid
CID 61379741
3-amino-2-methoxybenzoic acid
CID 19849158
2-acetyloxy-3-hydroperoxybenzoic acid
CID 173352180
5-methoxynaphthalene-2,3-dicarboxylic acid
CID 10467078
3-methoxy-2-(1-methylcyclopentyl)oxybenzoic acid
CID 117054021

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropanoyloxy)-3-methoxybenzoic acid?
The IUPAC name of 2-(2-hydroxypropanoyloxy)-3-methoxybenzoic acid (CID 117054066) is 2-(2-hydroxypropanoyloxy)-3-methoxybenzoic acid.
What is the SMILES notation for 2-(2-hydroxypropanoyloxy)-3-methoxybenzoic acid?
The canonical SMILES for 2-(2-hydroxypropanoyloxy)-3-methoxybenzoic acid is COc1cccc(C(=O)O)c1OC(=O)C(C)O.
What is the InChIKey of 2-(2-hydroxypropanoyloxy)-3-methoxybenzoic acid?
The InChIKey is AERNHHJVDYJAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O6/c1-6(12)11(15)17-9-7(10(13)14)4-3-5-8(9)16-2/h3-6,12H,1-2H3,(H,13,14).
What are the key properties of 2-(2-hydroxypropanoyloxy)-3-methoxybenzoic acid?
2-(2-hydroxypropanoyloxy)-3-methoxybenzoic acid has a molecular weight of 240.21 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropanoyloxy)-3-methoxybenzoic acid is sourced from PubChem (CID 117054066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).