4-hydroxy-3-methoxy-5-methyl-6-[(E)-3-methyl-9-phenylnon-2-enyl]pyran-2-one

C23H30O4 — CID 54728953

IUPAC4-hydroxy-3-methoxy-5-methyl-6-[(E)-3-methyl-9-phenylnon-2-enyl]pyran-2-one
SMILESCOc1c(O)c(C)c(C/C=C(\C)CCCCCCc2ccccc2)oc1=O
InChIInChI=1S/C23H30O4/c1-17(11-7-4-5-8-12-19-13-9-6-10-14-19)15-16-20-18(2)21(24)22(26-3)23(25)27-20/h6,9-10,13-15,24H,4-5,7-8,11-12,16H2,1-3H3/b17-15+
InChIKeyRLHYLTRNTUTEBU-BMRADRMJSA-N
MW370.49 g/mol
LogP5.34
Rot. Bonds10

About 4-hydroxy-3-methoxy-5-methyl-6-[(E)-3-methyl-9-phenylnon-2-enyl]pyran-2-one

4-hydroxy-3-methoxy-5-methyl-6-[(E)-3-methyl-9-phenylnon-2-enyl]pyran-2-one (PubChem CID 54728953) has the molecular formula C23H30O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is 4-hydroxy-3-methoxy-5-methyl-6-[(E)-3-methyl-9-phenylnon-2-enyl]pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-3-methoxy-5-methyl-6-[(E)-3-methyl-9-phenylnon-2-enyl]pyran-2-one
PubChem CID54728953
Molecular FormulaC23H30O4
Molecular Weight370.49 g/mol
Exact Mass370.21
IUPAC Name4-hydroxy-3-methoxy-5-methyl-6-[(E)-3-methyl-9-phenylnon-2-enyl]pyran-2-one
SMILESCOc1c(O)c(C)c(C/C=C(\C)CCCCCCc2ccccc2)oc1=O
InChIInChI=1S/C23H30O4/c1-17(11-7-4-5-8-12-19-13-9-6-10-14-19)15-16-20-18(2)21(24)22(26-3)23(25)27-20/h6,9-10,13-15,24H,4-5,7-8,11-12,16H2,1-3H3/b17-15+
InChIKeyRLHYLTRNTUTEBU-BMRADRMJSA-N
XLogP5.34
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-hydroxy-3-methoxy-5-methyl-6-[(E)-3-methyl-9-phenylnon-2-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 4-hydroxy-3-methoxy-5-methyl-6-[(E)-3-methyl-9-phenylnon-2-enyl]pyran-2-one?
The IUPAC name of 4-hydroxy-3-methoxy-5-methyl-6-[(E)-3-methyl-9-phenylnon-2-enyl]pyran-2-one (CID 54728953) is 4-hydroxy-3-methoxy-5-methyl-6-[(E)-3-methyl-9-phenylnon-2-enyl]pyran-2-one.
What is the SMILES notation for 4-hydroxy-3-methoxy-5-methyl-6-[(E)-3-methyl-9-phenylnon-2-enyl]pyran-2-one?
The canonical SMILES for 4-hydroxy-3-methoxy-5-methyl-6-[(E)-3-methyl-9-phenylnon-2-enyl]pyran-2-one is COc1c(O)c(C)c(C/C=C(\C)CCCCCCc2ccccc2)oc1=O.
What is the InChIKey of 4-hydroxy-3-methoxy-5-methyl-6-[(E)-3-methyl-9-phenylnon-2-enyl]pyran-2-one?
The InChIKey is RLHYLTRNTUTEBU-BMRADRMJSA-N. The full InChI is InChI=1S/C23H30O4/c1-17(11-7-4-5-8-12-19-13-9-6-10-14-19)15-16-20-18(2)21(24)22(26-3)23(25)27-20/h6,9-10,13-15,24H,4-5,7-8,11-12,16H2,1-3H3/b17-15+.
What are the key properties of 4-hydroxy-3-methoxy-5-methyl-6-[(E)-3-methyl-9-phenylnon-2-enyl]pyran-2-one?
4-hydroxy-3-methoxy-5-methyl-6-[(E)-3-methyl-9-phenylnon-2-enyl]pyran-2-one has a molecular weight of 370.49 g/mol, XLogP of 5.34, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methoxy-5-methyl-6-[(E)-3-methyl-9-phenylnon-2-enyl]pyran-2-one is sourced from PubChem (CID 54728953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).