8-cyclopentyloxy-5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)chromen-4-one

C24H26N2O5 — CID 155531800

IUPAC8-cyclopentyloxy-5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)chromen-4-one
SMILESO=c1cc(-c2ccc(N3CCNCC3)cc2)oc2c(OC3CCCC3)c(O)cc(O)c12
InChIInChI=1S/C24H26N2O5/c27-18-13-20(29)23(30-17-3-1-2-4-17)24-22(18)19(28)14-21(31-24)15-5-7-16(8-6-15)26-11-9-25-10-12-26/h5-8,13-14,17,25,27,29H,1-4,9-12H2
InChIKeyWJRLRHACTIYGGQ-UHFFFAOYSA-N
MW422.48 g/mol
LogP3.60
Rot. Bonds4

About 8-cyclopentyloxy-5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)chromen-4-one

8-cyclopentyloxy-5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)chromen-4-one (PubChem CID 155531800) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is 8-cyclopentyloxy-5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)chromen-4-one.

Molecular Properties

Compound Name8-cyclopentyloxy-5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)chromen-4-one
PubChem CID155531800
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name8-cyclopentyloxy-5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)chromen-4-one
SMILESO=c1cc(-c2ccc(N3CCNCC3)cc2)oc2c(OC3CCCC3)c(O)cc(O)c12
InChIInChI=1S/C24H26N2O5/c27-18-13-20(29)23(30-17-3-1-2-4-17)24-22(18)19(28)14-21(31-24)15-5-7-16(8-6-15)26-11-9-25-10-12-26/h5-8,13-14,17,25,27,29H,1-4,9-12H2
InChIKeyWJRLRHACTIYGGQ-UHFFFAOYSA-N
XLogP3.60
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyloxy-5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)chromen-4-one?
The IUPAC name of 8-cyclopentyloxy-5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)chromen-4-one (CID 155531800) is 8-cyclopentyloxy-5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)chromen-4-one.
What is the SMILES notation for 8-cyclopentyloxy-5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)chromen-4-one?
The canonical SMILES for 8-cyclopentyloxy-5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)chromen-4-one is O=c1cc(-c2ccc(N3CCNCC3)cc2)oc2c(OC3CCCC3)c(O)cc(O)c12.
What is the InChIKey of 8-cyclopentyloxy-5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)chromen-4-one?
The InChIKey is WJRLRHACTIYGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c27-18-13-20(29)23(30-17-3-1-2-4-17)24-22(18)19(28)14-21(31-24)15-5-7-16(8-6-15)26-11-9-25-10-12-26/h5-8,13-14,17,25,27,29H,1-4,9-12H2.
What are the key properties of 8-cyclopentyloxy-5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)chromen-4-one?
8-cyclopentyloxy-5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)chromen-4-one has a molecular weight of 422.48 g/mol, XLogP of 3.60, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyloxy-5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)chromen-4-one is sourced from PubChem (CID 155531800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).