2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)benzoic acid

C11H12O5 — CID 71325821

IUPAC2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)benzoic acid
SMILESCC1(c2cccc(C(=O)O)c2O)OCCO1
InChIInChI=1S/C11H12O5/c1-11(15-5-6-16-11)8-4-2-3-7(9(8)12)10(13)14/h2-4,12H,5-6H2,1H3,(H,13,14)
InChIKeyDDYKXFKIMQBIPU-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.31
Rot. Bonds2

About 2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)benzoic acid

2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)benzoic acid (PubChem CID 71325821) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)benzoic acid
PubChem CID71325821
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Name2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)benzoic acid
SMILESCC1(c2cccc(C(=O)O)c2O)OCCO1
InChIInChI=1S/C11H12O5/c1-11(15-5-6-16-11)8-4-2-3-7(9(8)12)10(13)14/h2-4,12H,5-6H2,1H3,(H,13,14)
InChIKeyDDYKXFKIMQBIPU-UHFFFAOYSA-N
XLogP1.31
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxybenzene-1,3-dicarboxylic acid;methane
CID 174853771
[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]boronic acid
CID 5146717
2-hydroxy-3-prop-1-en-2-ylbenzoic acid
CID 11423898
2-hydroxy-3-[(2-methyloxolane-2-carbonyl)amino]benzoic acid
CID 113458391
hydrogen peroxide;2-hydroxy-3-methylbenzoic acid
CID 161037568
2-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]carbamoyl]benzoic acid
CID 90451427
1,1,2-trimethyl-3H-isoindole-4-carboxylic acid
CID 175349699
4-[2-[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethenyl]phthalic acid
CID 57043810
carbonic acid;bis(2-hydroxy-3-methylbenzoic acid)
CID 66629599
1,1-dimethyl-2,3-dihydroindene-4-carboxylic acid
CID 600258
8-hydroxy-3,3-dimethyl-1-oxo-4H-isochromene-7-carboxylic acid
CID 57422163
2,2-dimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)-6-phenylmethoxyphenyl]propan-1-one
CID 139664268

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)benzoic acid?
The IUPAC name of 2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)benzoic acid (CID 71325821) is 2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)benzoic acid.
What is the SMILES notation for 2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)benzoic acid?
The canonical SMILES for 2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)benzoic acid is CC1(c2cccc(C(=O)O)c2O)OCCO1.
What is the InChIKey of 2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)benzoic acid?
The InChIKey is DDYKXFKIMQBIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-11(15-5-6-16-11)8-4-2-3-7(9(8)12)10(13)14/h2-4,12H,5-6H2,1H3,(H,13,14).
What are the key properties of 2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)benzoic acid?
2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)benzoic acid has a molecular weight of 224.21 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2-methyl-1,3-dioxolan-2-yl)benzoic acid is sourced from PubChem (CID 71325821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).