7-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)chromen-4-one

C20H19NO4 — CID 14988193

IUPAC7-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)chromen-4-one
SMILESO=c1c(N2CCC(O)(c3ccccc3)CC2)coc2cc(O)ccc12
InChIInChI=1S/C20H19NO4/c22-15-6-7-16-18(12-15)25-13-17(19(16)23)21-10-8-20(24,9-11-21)14-4-2-1-3-5-14/h1-7,12-13,22,24H,8-11H2
InChIKeyWQKGRAHWJREIJW-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.99
Rot. Bonds2

About 7-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)chromen-4-one

7-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)chromen-4-one (PubChem CID 14988193) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 7-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)chromen-4-one
PubChem CID14988193
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name7-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)chromen-4-one
SMILESO=c1c(N2CCC(O)(c3ccccc3)CC2)coc2cc(O)ccc12
InChIInChI=1S/C20H19NO4/c22-15-6-7-16-18(12-15)25-13-17(19(16)23)21-10-8-20(24,9-11-21)14-4-2-1-3-5-14/h1-7,12-13,22,24H,8-11H2
InChIKeyWQKGRAHWJREIJW-UHFFFAOYSA-N
XLogP2.99
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)chromen-4-one?
The IUPAC name of 7-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)chromen-4-one (CID 14988193) is 7-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)chromen-4-one.
What is the SMILES notation for 7-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)chromen-4-one?
The canonical SMILES for 7-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)chromen-4-one is O=c1c(N2CCC(O)(c3ccccc3)CC2)coc2cc(O)ccc12.
What is the InChIKey of 7-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)chromen-4-one?
The InChIKey is WQKGRAHWJREIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c22-15-6-7-16-18(12-15)25-13-17(19(16)23)21-10-8-20(24,9-11-21)14-4-2-1-3-5-14/h1-7,12-13,22,24H,8-11H2.
What are the key properties of 7-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)chromen-4-one?
7-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)chromen-4-one has a molecular weight of 337.38 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)chromen-4-one is sourced from PubChem (CID 14988193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).