8-methyl-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)chromen-4-one

C23H25NO3 — CID 71602905

IUPAC8-methyl-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)chromen-4-one
SMILESCc1c(OCCCN2CCCC2)ccc2c(=O)cc(-c3ccccc3)oc12
InChIInChI=1S/C23H25NO3/c1-17-21(26-15-7-14-24-12-5-6-13-24)11-10-19-20(25)16-22(27-23(17)19)18-8-3-2-4-9-18/h2-4,8-11,16H,5-7,12-15H2,1H3
InChIKeyPHWLRVAQNSVPJY-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.63
Rot. Bonds6

About 8-methyl-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)chromen-4-one

8-methyl-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)chromen-4-one (PubChem CID 71602905) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 8-methyl-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)chromen-4-one.

Molecular Properties

Compound Name8-methyl-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)chromen-4-one
PubChem CID71602905
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name8-methyl-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)chromen-4-one
SMILESCc1c(OCCCN2CCCC2)ccc2c(=O)cc(-c3ccccc3)oc12
InChIInChI=1S/C23H25NO3/c1-17-21(26-15-7-14-24-12-5-6-13-24)11-10-19-20(25)16-22(27-23(17)19)18-8-3-2-4-9-18/h2-4,8-11,16H,5-7,12-15H2,1H3
InChIKeyPHWLRVAQNSVPJY-UHFFFAOYSA-N
XLogP4.63
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-methyl-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)chromen-4-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 8-methyl-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)chromen-4-one?
The IUPAC name of 8-methyl-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)chromen-4-one (CID 71602905) is 8-methyl-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)chromen-4-one.
What is the SMILES notation for 8-methyl-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)chromen-4-one?
The canonical SMILES for 8-methyl-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)chromen-4-one is Cc1c(OCCCN2CCCC2)ccc2c(=O)cc(-c3ccccc3)oc12.
What is the InChIKey of 8-methyl-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)chromen-4-one?
The InChIKey is PHWLRVAQNSVPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-17-21(26-15-7-14-24-12-5-6-13-24)11-10-19-20(25)16-22(27-23(17)19)18-8-3-2-4-9-18/h2-4,8-11,16H,5-7,12-15H2,1H3.
What are the key properties of 8-methyl-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)chromen-4-one?
8-methyl-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)chromen-4-one has a molecular weight of 363.46 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-phenyl-7-(3-pyrrolidin-1-ylpropoxy)chromen-4-one is sourced from PubChem (CID 71602905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).