7-hydroxy-3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]chromen-2-one

C28H27NO4 — CID 10275072

IUPAC7-hydroxy-3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]chromen-2-one
SMILESO=c1oc2cc(O)ccc2c(-c2ccc(OCCN3CCCCC3)cc2)c1-c1ccccc1
InChIInChI=1S/C28H27NO4/c30-22-11-14-24-25(19-22)33-28(31)27(20-7-3-1-4-8-20)26(24)21-9-12-23(13-10-21)32-18-17-29-15-5-2-6-16-29/h1,3-4,7-14,19,30H,2,5-6,15-18H2
InChIKeyZKROPOZVVXSGFR-UHFFFAOYSA-N
MW441.53 g/mol
LogP5.70
Rot. Bonds6

About 7-hydroxy-3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]chromen-2-one

7-hydroxy-3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]chromen-2-one (PubChem CID 10275072) has the molecular formula C28H27NO4 and a molecular weight of 441.53 g/mol. Its IUPAC name is 7-hydroxy-3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]chromen-2-one
PubChem CID10275072
Molecular FormulaC28H27NO4
Molecular Weight441.53 g/mol
Exact Mass441.19
IUPAC Name7-hydroxy-3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]chromen-2-one
SMILESO=c1oc2cc(O)ccc2c(-c2ccc(OCCN3CCCCC3)cc2)c1-c1ccccc1
InChIInChI=1S/C28H27NO4/c30-22-11-14-24-25(19-22)33-28(31)27(20-7-3-1-4-8-20)26(24)21-9-12-23(13-10-21)32-18-17-29-15-5-2-6-16-29/h1,3-4,7-14,19,30H,2,5-6,15-18H2
InChIKeyZKROPOZVVXSGFR-UHFFFAOYSA-N
XLogP5.70
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-hydroxy-3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]chromen-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 7-hydroxy-3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]chromen-2-one?
The IUPAC name of 7-hydroxy-3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]chromen-2-one (CID 10275072) is 7-hydroxy-3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]chromen-2-one.
What is the SMILES notation for 7-hydroxy-3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]chromen-2-one?
The canonical SMILES for 7-hydroxy-3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]chromen-2-one is O=c1oc2cc(O)ccc2c(-c2ccc(OCCN3CCCCC3)cc2)c1-c1ccccc1.
What is the InChIKey of 7-hydroxy-3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]chromen-2-one?
The InChIKey is ZKROPOZVVXSGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO4/c30-22-11-14-24-25(19-22)33-28(31)27(20-7-3-1-4-8-20)26(24)21-9-12-23(13-10-21)32-18-17-29-15-5-2-6-16-29/h1,3-4,7-14,19,30H,2,5-6,15-18H2.
What are the key properties of 7-hydroxy-3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]chromen-2-one?
7-hydroxy-3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]chromen-2-one has a molecular weight of 441.53 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]chromen-2-one is sourced from PubChem (CID 10275072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).