4-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]pyran-2-one

C15H12O4 — CID 135400373

IUPAC4-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]pyran-2-one
SMILESCc1cc(O)c(C(=O)/C=C/c2ccccc2)c(=O)o1
InChIInChI=1S/C15H12O4/c1-10-9-13(17)14(15(18)19-10)12(16)8-7-11-5-3-2-4-6-11/h2-9,17H,1H3/b8-7+
InChIKeyQQNOPUCVSSJIIN-BQYQJAHWSA-N
MW256.26 g/mol
LogP2.55
Rot. Bonds3

About 4-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]pyran-2-one

4-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]pyran-2-one (PubChem CID 135400373) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]pyran-2-one
PubChem CID135400373
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name4-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]pyran-2-one
SMILESCc1cc(O)c(C(=O)/C=C/c2ccccc2)c(=O)o1
InChIInChI=1S/C15H12O4/c1-10-9-13(17)14(15(18)19-10)12(16)8-7-11-5-3-2-4-6-11/h2-9,17H,1H3/b8-7+
InChIKeyQQNOPUCVSSJIIN-BQYQJAHWSA-N
XLogP2.55
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]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 4-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]pyran-2-one?
The IUPAC name of 4-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]pyran-2-one (CID 135400373) is 4-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]pyran-2-one.
What is the SMILES notation for 4-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]pyran-2-one?
The canonical SMILES for 4-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]pyran-2-one is Cc1cc(O)c(C(=O)/C=C/c2ccccc2)c(=O)o1.
What is the InChIKey of 4-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]pyran-2-one?
The InChIKey is QQNOPUCVSSJIIN-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H12O4/c1-10-9-13(17)14(15(18)19-10)12(16)8-7-11-5-3-2-4-6-11/h2-9,17H,1H3/b8-7+.
What are the key properties of 4-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]pyran-2-one?
4-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]pyran-2-one has a molecular weight of 256.26 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-3-[(E)-3-phenylprop-2-enoyl]pyran-2-one is sourced from PubChem (CID 135400373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).