5-hydroxy-2-phenyl-7-(4-piperidin-4-ylbutoxy)chromen-4-one

C24H27NO4 — CID 68755771

IUPAC5-hydroxy-2-phenyl-7-(4-piperidin-4-ylbutoxy)chromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(OCCCCC3CCNCC3)cc(O)c12
InChIInChI=1S/C24H27NO4/c26-20-14-19(28-13-5-4-6-17-9-11-25-12-10-17)15-23-24(20)21(27)16-22(29-23)18-7-2-1-3-8-18/h1-3,7-8,14-17,25-26H,4-6,9-13H2
InChIKeyPHMWTEWKZDAMOG-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.71
Rot. Bonds7

About 5-hydroxy-2-phenyl-7-(4-piperidin-4-ylbutoxy)chromen-4-one

5-hydroxy-2-phenyl-7-(4-piperidin-4-ylbutoxy)chromen-4-one (PubChem CID 68755771) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 5-hydroxy-2-phenyl-7-(4-piperidin-4-ylbutoxy)chromen-4-one.

Molecular Properties

Compound Name5-hydroxy-2-phenyl-7-(4-piperidin-4-ylbutoxy)chromen-4-one
PubChem CID68755771
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name5-hydroxy-2-phenyl-7-(4-piperidin-4-ylbutoxy)chromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2cc(OCCCCC3CCNCC3)cc(O)c12
InChIInChI=1S/C24H27NO4/c26-20-14-19(28-13-5-4-6-17-9-11-25-12-10-17)15-23-24(20)21(27)16-22(29-23)18-7-2-1-3-8-18/h1-3,7-8,14-17,25-26H,4-6,9-13H2
InChIKeyPHMWTEWKZDAMOG-UHFFFAOYSA-N
XLogP4.71
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-7-(2-hydroxyethoxy)-2-phenylchromen-4-one
CID 15896568
7-(8-bromooctoxy)-5-hydroxy-2-phenylchromen-4-one
CID 172994912
8-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoctanoic acid
CID 172994915
4-bromobutyl 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetate
CID 53486698
7-[2-(benzylamino)ethoxy]-5-hydroxy-2-phenylchromen-4-one
CID 46898624
7-hexoxy-2-(4-hexoxyphenyl)-5-hydroxychromen-4-one
CID 132568297
7-[(4-bromophenyl)methoxy]-5-hydroxy-2-phenylchromen-4-one
CID 6029612
5-hydroxy-2-phenyl-7-[(1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one
CID 58212199
1-[2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetyl]piperidine-4-carboxylic acid
CID 29147856
5-hydroxy-2-phenyl-7-(3-phenylprop-2-enoxy)chromen-4-one
CID 6802595
(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxymethyl 5-nitrooxypentanoate
CID 46887221
5-hydroxy-7-[2-(2-morpholin-4-ylethylamino)ethoxy]-2-phenylchromen-4-one
CID 134122328

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-phenyl-7-(4-piperidin-4-ylbutoxy)chromen-4-one?
The IUPAC name of 5-hydroxy-2-phenyl-7-(4-piperidin-4-ylbutoxy)chromen-4-one (CID 68755771) is 5-hydroxy-2-phenyl-7-(4-piperidin-4-ylbutoxy)chromen-4-one.
What is the SMILES notation for 5-hydroxy-2-phenyl-7-(4-piperidin-4-ylbutoxy)chromen-4-one?
The canonical SMILES for 5-hydroxy-2-phenyl-7-(4-piperidin-4-ylbutoxy)chromen-4-one is O=c1cc(-c2ccccc2)oc2cc(OCCCCC3CCNCC3)cc(O)c12.
What is the InChIKey of 5-hydroxy-2-phenyl-7-(4-piperidin-4-ylbutoxy)chromen-4-one?
The InChIKey is PHMWTEWKZDAMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c26-20-14-19(28-13-5-4-6-17-9-11-25-12-10-17)15-23-24(20)21(27)16-22(29-23)18-7-2-1-3-8-18/h1-3,7-8,14-17,25-26H,4-6,9-13H2.
What are the key properties of 5-hydroxy-2-phenyl-7-(4-piperidin-4-ylbutoxy)chromen-4-one?
5-hydroxy-2-phenyl-7-(4-piperidin-4-ylbutoxy)chromen-4-one has a molecular weight of 393.48 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-phenyl-7-(4-piperidin-4-ylbutoxy)chromen-4-one is sourced from PubChem (CID 68755771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).