2-[(2-hydroxyphenyl)methyl]-1,3-dioxolane-4-carboxylic acid

C11H12O5 — CID 115094671

IUPAC2-[(2-hydroxyphenyl)methyl]-1,3-dioxolane-4-carboxylic acid
SMILESO=C(O)C1COC(Cc2ccccc2O)O1
InChIInChI=1S/C11H12O5/c12-8-4-2-1-3-7(8)5-10-15-6-9(16-10)11(13)14/h1-4,9-10,12H,5-6H2,(H,13,14)
InChIKeyQZEPIXKJVVKISE-UHFFFAOYSA-N
MW224.21 g/mol
LogP0.76
Rot. Bonds3

About 2-[(2-hydroxyphenyl)methyl]-1,3-dioxolane-4-carboxylic acid

2-[(2-hydroxyphenyl)methyl]-1,3-dioxolane-4-carboxylic acid (PubChem CID 115094671) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)methyl]-1,3-dioxolane-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)methyl]-1,3-dioxolane-4-carboxylic acid
PubChem CID115094671
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Name2-[(2-hydroxyphenyl)methyl]-1,3-dioxolane-4-carboxylic acid
SMILESO=C(O)C1COC(Cc2ccccc2O)O1
InChIInChI=1S/C11H12O5/c12-8-4-2-1-3-7(8)5-10-15-6-9(16-10)11(13)14/h1-4,9-10,12H,5-6H2,(H,13,14)
InChIKeyQZEPIXKJVVKISE-UHFFFAOYSA-N
XLogP0.76
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenyl)methyl]-1,3-dioxolane-4-carboxylic acid?
The IUPAC name of 2-[(2-hydroxyphenyl)methyl]-1,3-dioxolane-4-carboxylic acid (CID 115094671) is 2-[(2-hydroxyphenyl)methyl]-1,3-dioxolane-4-carboxylic acid.
What is the SMILES notation for 2-[(2-hydroxyphenyl)methyl]-1,3-dioxolane-4-carboxylic acid?
The canonical SMILES for 2-[(2-hydroxyphenyl)methyl]-1,3-dioxolane-4-carboxylic acid is O=C(O)C1COC(Cc2ccccc2O)O1.
What is the InChIKey of 2-[(2-hydroxyphenyl)methyl]-1,3-dioxolane-4-carboxylic acid?
The InChIKey is QZEPIXKJVVKISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c12-8-4-2-1-3-7(8)5-10-15-6-9(16-10)11(13)14/h1-4,9-10,12H,5-6H2,(H,13,14).
What are the key properties of 2-[(2-hydroxyphenyl)methyl]-1,3-dioxolane-4-carboxylic acid?
2-[(2-hydroxyphenyl)methyl]-1,3-dioxolane-4-carboxylic acid has a molecular weight of 224.21 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)methyl]-1,3-dioxolane-4-carboxylic acid is sourced from PubChem (CID 115094671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).