5-(4-hydroxy-3-methylphenyl)oxolan-2-one

C11H12O3 — CID 130032868

IUPAC5-(4-hydroxy-3-methylphenyl)oxolan-2-one
SMILESCc1cc(C2CCC(=O)O2)ccc1O
InChIInChI=1S/C11H12O3/c1-7-6-8(2-3-9(7)12)10-4-5-11(13)14-10/h2-3,6,10,12H,4-5H2,1H3
InChIKeyFXRCZPBLRBJVGR-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.08
Rot. Bonds1

About 5-(4-hydroxy-3-methylphenyl)oxolan-2-one

5-(4-hydroxy-3-methylphenyl)oxolan-2-one (PubChem CID 130032868) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 5-(4-hydroxy-3-methylphenyl)oxolan-2-one.

Molecular Properties

Compound Name5-(4-hydroxy-3-methylphenyl)oxolan-2-one
PubChem CID130032868
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name5-(4-hydroxy-3-methylphenyl)oxolan-2-one
SMILESCc1cc(C2CCC(=O)O2)ccc1O
InChIInChI=1S/C11H12O3/c1-7-6-8(2-3-9(7)12)10-4-5-11(13)14-10/h2-3,6,10,12H,4-5H2,1H3
InChIKeyFXRCZPBLRBJVGR-UHFFFAOYSA-N
XLogP2.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-hydroxy-3-methylphenyl)oxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-3-methylphenyl)oxolan-2-one?
The IUPAC name of 5-(4-hydroxy-3-methylphenyl)oxolan-2-one (CID 130032868) is 5-(4-hydroxy-3-methylphenyl)oxolan-2-one.
What is the SMILES notation for 5-(4-hydroxy-3-methylphenyl)oxolan-2-one?
The canonical SMILES for 5-(4-hydroxy-3-methylphenyl)oxolan-2-one is Cc1cc(C2CCC(=O)O2)ccc1O.
What is the InChIKey of 5-(4-hydroxy-3-methylphenyl)oxolan-2-one?
The InChIKey is FXRCZPBLRBJVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-7-6-8(2-3-9(7)12)10-4-5-11(13)14-10/h2-3,6,10,12H,4-5H2,1H3.
What are the key properties of 5-(4-hydroxy-3-methylphenyl)oxolan-2-one?
5-(4-hydroxy-3-methylphenyl)oxolan-2-one has a molecular weight of 192.21 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-3-methylphenyl)oxolan-2-one is sourced from PubChem (CID 130032868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).