3-(4-hydroxyphenyl)oxolane-3-carboxylic acid

C11H12O4 — CID 83820385

IUPAC3-(4-hydroxyphenyl)oxolane-3-carboxylic acid
SMILESO=C(O)C1(c2ccc(O)cc2)CCOC1
InChIInChI=1S/C11H12O4/c12-9-3-1-8(2-4-9)11(10(13)14)5-6-15-7-11/h1-4,12H,5-7H2,(H,13,14)
InChIKeyZILYMZNXLWSQBL-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.13
Rot. Bonds2

About 3-(4-hydroxyphenyl)oxolane-3-carboxylic acid

3-(4-hydroxyphenyl)oxolane-3-carboxylic acid (PubChem CID 83820385) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)oxolane-3-carboxylic acid
PubChem CID83820385
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name3-(4-hydroxyphenyl)oxolane-3-carboxylic acid
SMILESO=C(O)C1(c2ccc(O)cc2)CCOC1
InChIInChI=1S/C11H12O4/c12-9-3-1-8(2-4-9)11(10(13)14)5-6-15-7-11/h1-4,12H,5-7H2,(H,13,14)
InChIKeyZILYMZNXLWSQBL-UHFFFAOYSA-N
XLogP1.13
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)oxolane-3-carboxylic acid?
The IUPAC name of 3-(4-hydroxyphenyl)oxolane-3-carboxylic acid (CID 83820385) is 3-(4-hydroxyphenyl)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(4-hydroxyphenyl)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(4-hydroxyphenyl)oxolane-3-carboxylic acid is O=C(O)C1(c2ccc(O)cc2)CCOC1.
What is the InChIKey of 3-(4-hydroxyphenyl)oxolane-3-carboxylic acid?
The InChIKey is ZILYMZNXLWSQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c12-9-3-1-8(2-4-9)11(10(13)14)5-6-15-7-11/h1-4,12H,5-7H2,(H,13,14).
What are the key properties of 3-(4-hydroxyphenyl)oxolane-3-carboxylic acid?
3-(4-hydroxyphenyl)oxolane-3-carboxylic acid has a molecular weight of 208.21 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)oxolane-3-carboxylic acid is sourced from PubChem (CID 83820385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).