6-(4-hydroxypent-2-en-2-yl)-4-methoxy-3-methylpyran-2-one

C12H16O4 — CID 74169052

IUPAC6-(4-hydroxypent-2-en-2-yl)-4-methoxy-3-methylpyran-2-one
SMILESCOc1cc(C(C)=CC(C)O)oc(=O)c1C
InChIInChI=1S/C12H16O4/c1-7(5-8(2)13)10-6-11(15-4)9(3)12(14)16-10/h5-6,8,13H,1-4H3
InChIKeyFXQRSXWMFRVMOS-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.74
Rot. Bonds3

About 6-(4-hydroxypent-2-en-2-yl)-4-methoxy-3-methylpyran-2-one

6-(4-hydroxypent-2-en-2-yl)-4-methoxy-3-methylpyran-2-one (PubChem CID 74169052) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 6-(4-hydroxypent-2-en-2-yl)-4-methoxy-3-methylpyran-2-one.

Molecular Properties

Compound Name6-(4-hydroxypent-2-en-2-yl)-4-methoxy-3-methylpyran-2-one
PubChem CID74169052
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name6-(4-hydroxypent-2-en-2-yl)-4-methoxy-3-methylpyran-2-one
SMILESCOc1cc(C(C)=CC(C)O)oc(=O)c1C
InChIInChI=1S/C12H16O4/c1-7(5-8(2)13)10-6-11(15-4)9(3)12(14)16-10/h5-6,8,13H,1-4H3
InChIKeyFXQRSXWMFRVMOS-UHFFFAOYSA-N
XLogP1.74
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(4-hydroxypent-2-en-2-yl)-4-methoxy-3-methylpyran-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 6-(4-hydroxypent-2-en-2-yl)-4-methoxy-3-methylpyran-2-one?
The IUPAC name of 6-(4-hydroxypent-2-en-2-yl)-4-methoxy-3-methylpyran-2-one (CID 74169052) is 6-(4-hydroxypent-2-en-2-yl)-4-methoxy-3-methylpyran-2-one.
What is the SMILES notation for 6-(4-hydroxypent-2-en-2-yl)-4-methoxy-3-methylpyran-2-one?
The canonical SMILES for 6-(4-hydroxypent-2-en-2-yl)-4-methoxy-3-methylpyran-2-one is COc1cc(C(C)=CC(C)O)oc(=O)c1C.
What is the InChIKey of 6-(4-hydroxypent-2-en-2-yl)-4-methoxy-3-methylpyran-2-one?
The InChIKey is FXQRSXWMFRVMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-7(5-8(2)13)10-6-11(15-4)9(3)12(14)16-10/h5-6,8,13H,1-4H3.
What are the key properties of 6-(4-hydroxypent-2-en-2-yl)-4-methoxy-3-methylpyran-2-one?
6-(4-hydroxypent-2-en-2-yl)-4-methoxy-3-methylpyran-2-one has a molecular weight of 224.26 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxypent-2-en-2-yl)-4-methoxy-3-methylpyran-2-one is sourced from PubChem (CID 74169052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).