5-(hydroxymethyl)-4-methoxy-6-[(E)-prop-1-enyl]pyran-2-one

C10H12O4 — CID 10241766

IUPAC5-(hydroxymethyl)-4-methoxy-6-[(E)-prop-1-enyl]pyran-2-one
SMILESC/C=C/c1oc(=O)cc(OC)c1CO
InChIInChI=1S/C10H12O4/c1-3-4-8-7(6-11)9(13-2)5-10(12)14-8/h3-5,11H,6H2,1-2H3/b4-3+
InChIKeyDFWGSIJBMOBCST-ONEGZZNKSA-N
MW196.20 g/mol
LogP1.17
Rot. Bonds3

About 5-(hydroxymethyl)-4-methoxy-6-[(E)-prop-1-enyl]pyran-2-one

5-(hydroxymethyl)-4-methoxy-6-[(E)-prop-1-enyl]pyran-2-one (PubChem CID 10241766) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-methoxy-6-[(E)-prop-1-enyl]pyran-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-methoxy-6-[(E)-prop-1-enyl]pyran-2-one
PubChem CID10241766
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name5-(hydroxymethyl)-4-methoxy-6-[(E)-prop-1-enyl]pyran-2-one
SMILESC/C=C/c1oc(=O)cc(OC)c1CO
InChIInChI=1S/C10H12O4/c1-3-4-8-7(6-11)9(13-2)5-10(12)14-8/h3-5,11H,6H2,1-2H3/b4-3+
InChIKeyDFWGSIJBMOBCST-ONEGZZNKSA-N
XLogP1.17
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(hydroxymethyl)-4-methoxy-6-[(E)-prop-1-enyl]pyran-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-(hydroxymethyl)-4-methoxy-6-[(E)-prop-1-enyl]pyran-2-one?
The IUPAC name of 5-(hydroxymethyl)-4-methoxy-6-[(E)-prop-1-enyl]pyran-2-one (CID 10241766) is 5-(hydroxymethyl)-4-methoxy-6-[(E)-prop-1-enyl]pyran-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-4-methoxy-6-[(E)-prop-1-enyl]pyran-2-one?
The canonical SMILES for 5-(hydroxymethyl)-4-methoxy-6-[(E)-prop-1-enyl]pyran-2-one is C/C=C/c1oc(=O)cc(OC)c1CO.
What is the InChIKey of 5-(hydroxymethyl)-4-methoxy-6-[(E)-prop-1-enyl]pyran-2-one?
The InChIKey is DFWGSIJBMOBCST-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H12O4/c1-3-4-8-7(6-11)9(13-2)5-10(12)14-8/h3-5,11H,6H2,1-2H3/b4-3+.
What are the key properties of 5-(hydroxymethyl)-4-methoxy-6-[(E)-prop-1-enyl]pyran-2-one?
5-(hydroxymethyl)-4-methoxy-6-[(E)-prop-1-enyl]pyran-2-one has a molecular weight of 196.20 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-methoxy-6-[(E)-prop-1-enyl]pyran-2-one is sourced from PubChem (CID 10241766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).