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

C24H22N2O6 — CID 155542868

IUPAC8-(furan-2-ylmethoxy)-5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)chromen-4-one
SMILESO=c1cc(-c2ccc(N3CCNCC3)cc2)oc2c(OCc3ccco3)c(O)cc(O)c12
InChIInChI=1S/C24H22N2O6/c27-18-12-20(29)23(31-14-17-2-1-11-30-17)24-22(18)19(28)13-21(32-24)15-3-5-16(6-4-15)26-9-7-25-8-10-26/h1-6,11-13,25,27,29H,7-10,14H2
InChIKeyMPHAWYXYXJUNOE-UHFFFAOYSA-N
MW434.45 g/mol
LogP3.45
Rot. Bonds5

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

8-(furan-2-ylmethoxy)-5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)chromen-4-one (PubChem CID 155542868) has the molecular formula C24H22N2O6 and a molecular weight of 434.45 g/mol. Its IUPAC name is 8-(furan-2-ylmethoxy)-5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)chromen-4-one.

Molecular Properties

Compound Name8-(furan-2-ylmethoxy)-5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)chromen-4-one
PubChem CID155542868
Molecular FormulaC24H22N2O6
Molecular Weight434.45 g/mol
Exact Mass434.15
IUPAC Name8-(furan-2-ylmethoxy)-5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)chromen-4-one
SMILESO=c1cc(-c2ccc(N3CCNCC3)cc2)oc2c(OCc3ccco3)c(O)cc(O)c12
InChIInChI=1S/C24H22N2O6/c27-18-12-20(29)23(31-14-17-2-1-11-30-17)24-22(18)19(28)13-21(32-24)15-3-5-16(6-4-15)26-9-7-25-8-10-26/h1-6,11-13,25,27,29H,7-10,14H2
InChIKeyMPHAWYXYXJUNOE-UHFFFAOYSA-N
XLogP3.45
TPSA108.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 8-(furan-2-ylmethoxy)-5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)chromen-4-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 8-(furan-2-ylmethoxy)-5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)chromen-4-one?
The IUPAC name of 8-(furan-2-ylmethoxy)-5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)chromen-4-one (CID 155542868) is 8-(furan-2-ylmethoxy)-5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)chromen-4-one.
What is the SMILES notation for 8-(furan-2-ylmethoxy)-5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)chromen-4-one?
The canonical SMILES for 8-(furan-2-ylmethoxy)-5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)chromen-4-one is O=c1cc(-c2ccc(N3CCNCC3)cc2)oc2c(OCc3ccco3)c(O)cc(O)c12.
What is the InChIKey of 8-(furan-2-ylmethoxy)-5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)chromen-4-one?
The InChIKey is MPHAWYXYXJUNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O6/c27-18-12-20(29)23(31-14-17-2-1-11-30-17)24-22(18)19(28)13-21(32-24)15-3-5-16(6-4-15)26-9-7-25-8-10-26/h1-6,11-13,25,27,29H,7-10,14H2.
What are the key properties of 8-(furan-2-ylmethoxy)-5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)chromen-4-one?
8-(furan-2-ylmethoxy)-5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)chromen-4-one has a molecular weight of 434.45 g/mol, XLogP of 3.45, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-ylmethoxy)-5,7-dihydroxy-2-(4-piperazin-1-ylphenyl)chromen-4-one is sourced from PubChem (CID 155542868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).