4-(3-hydroxyphenyl)oxolan-2-one

C10H10O3 — CID 105437331

IUPAC4-(3-hydroxyphenyl)oxolan-2-one
SMILESO=C1CC(c2cccc(O)c2)CO1
InChIInChI=1S/C10H10O3/c11-9-3-1-2-7(4-9)8-5-10(12)13-6-8/h1-4,8,11H,5-6H2
InChIKeyNIVHGHPYFOQJIZ-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.42
Rot. Bonds1

About 4-(3-hydroxyphenyl)oxolan-2-one

4-(3-hydroxyphenyl)oxolan-2-one (PubChem CID 105437331) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)oxolan-2-one.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)oxolan-2-one
PubChem CID105437331
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name4-(3-hydroxyphenyl)oxolan-2-one
SMILESO=C1CC(c2cccc(O)c2)CO1
InChIInChI=1S/C10H10O3/c11-9-3-1-2-7(4-9)8-5-10(12)13-6-8/h1-4,8,11H,5-6H2
InChIKeyNIVHGHPYFOQJIZ-UHFFFAOYSA-N
XLogP1.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)oxolan-2-one?
The IUPAC name of 4-(3-hydroxyphenyl)oxolan-2-one (CID 105437331) is 4-(3-hydroxyphenyl)oxolan-2-one.
What is the SMILES notation for 4-(3-hydroxyphenyl)oxolan-2-one?
The canonical SMILES for 4-(3-hydroxyphenyl)oxolan-2-one is O=C1CC(c2cccc(O)c2)CO1.
What is the InChIKey of 4-(3-hydroxyphenyl)oxolan-2-one?
The InChIKey is NIVHGHPYFOQJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c11-9-3-1-2-7(4-9)8-5-10(12)13-6-8/h1-4,8,11H,5-6H2.
What are the key properties of 4-(3-hydroxyphenyl)oxolan-2-one?
4-(3-hydroxyphenyl)oxolan-2-one has a molecular weight of 178.19 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)oxolan-2-one is sourced from PubChem (CID 105437331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).