2-(4-chlorophenyl)-3-(2-piperidin-1-ylethoxy)chromen-4-one

C22H22ClNO3 — CID 39773615

IUPAC2-(4-chlorophenyl)-3-(2-piperidin-1-ylethoxy)chromen-4-one
SMILESO=c1c(OCCN2CCCCC2)c(-c2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C22H22ClNO3/c23-17-10-8-16(9-11-17)21-22(26-15-14-24-12-4-1-5-13-24)20(25)18-6-2-3-7-19(18)27-21/h2-3,6-11H,1,4-5,12-15H2
InChIKeyRXWXSRAYUSYMTO-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.98
Rot. Bonds5

About 2-(4-chlorophenyl)-3-(2-piperidin-1-ylethoxy)chromen-4-one

2-(4-chlorophenyl)-3-(2-piperidin-1-ylethoxy)chromen-4-one (PubChem CID 39773615) has the molecular formula C22H22ClNO3 and a molecular weight of 383.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(2-piperidin-1-ylethoxy)chromen-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(2-piperidin-1-ylethoxy)chromen-4-one
PubChem CID39773615
Molecular FormulaC22H22ClNO3
Molecular Weight383.88 g/mol
Exact Mass383.13
IUPAC Name2-(4-chlorophenyl)-3-(2-piperidin-1-ylethoxy)chromen-4-one
SMILESO=c1c(OCCN2CCCCC2)c(-c2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C22H22ClNO3/c23-17-10-8-16(9-11-17)21-22(26-15-14-24-12-4-1-5-13-24)20(25)18-6-2-3-7-19(18)27-21/h2-3,6-11H,1,4-5,12-15H2
InChIKeyRXWXSRAYUSYMTO-UHFFFAOYSA-N
XLogP4.98
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(2-piperidin-1-ylethoxy)chromen-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-(2-piperidin-1-ylethoxy)chromen-4-one (CID 39773615) is 2-(4-chlorophenyl)-3-(2-piperidin-1-ylethoxy)chromen-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(2-piperidin-1-ylethoxy)chromen-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-(2-piperidin-1-ylethoxy)chromen-4-one is O=c1c(OCCN2CCCCC2)c(-c2ccc(Cl)cc2)oc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-3-(2-piperidin-1-ylethoxy)chromen-4-one?
The InChIKey is RXWXSRAYUSYMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO3/c23-17-10-8-16(9-11-17)21-22(26-15-14-24-12-4-1-5-13-24)20(25)18-6-2-3-7-19(18)27-21/h2-3,6-11H,1,4-5,12-15H2.
What are the key properties of 2-(4-chlorophenyl)-3-(2-piperidin-1-ylethoxy)chromen-4-one?
2-(4-chlorophenyl)-3-(2-piperidin-1-ylethoxy)chromen-4-one has a molecular weight of 383.88 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(2-piperidin-1-ylethoxy)chromen-4-one is sourced from PubChem (CID 39773615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).