5-hydroxy-7-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]chromen-4-one

C31H40N2O7 — CID 141259926

IUPAC5-hydroxy-7-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]chromen-4-one
SMILESO=c1c(-c2ccc(OCC(O)CN3CCCCC3)cc2)coc2cc(OCC(O)CN3CCCCC3)cc(O)c12
InChIInChI=1S/C31H40N2O7/c34-23(17-32-11-3-1-4-12-32)19-38-25-9-7-22(8-10-25)27-21-40-29-16-26(15-28(36)30(29)31(27)37)39-20-24(35)18-33-13-5-2-6-14-33/h7-10,15-16,21,23-24,34-36H,1-6,11-14,17-20H2
InChIKeyLCDQLCIHYPRYCI-UHFFFAOYSA-N
MW552.67 g/mol
LogP3.62
Rot. Bonds11

About 5-hydroxy-7-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]chromen-4-one

5-hydroxy-7-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]chromen-4-one (PubChem CID 141259926) has the molecular formula C31H40N2O7 and a molecular weight of 552.67 g/mol. Its IUPAC name is 5-hydroxy-7-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]chromen-4-one.

Molecular Properties

Compound Name5-hydroxy-7-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]chromen-4-one
PubChem CID141259926
Molecular FormulaC31H40N2O7
Molecular Weight552.67 g/mol
Exact Mass552.28
IUPAC Name5-hydroxy-7-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]chromen-4-one
SMILESO=c1c(-c2ccc(OCC(O)CN3CCCCC3)cc2)coc2cc(OCC(O)CN3CCCCC3)cc(O)c12
InChIInChI=1S/C31H40N2O7/c34-23(17-32-11-3-1-4-12-32)19-38-25-9-7-22(8-10-25)27-21-40-29-16-26(15-28(36)30(29)31(27)37)39-20-24(35)18-33-13-5-2-6-14-33/h7-10,15-16,21,23-24,34-36H,1-6,11-14,17-20H2
InChIKeyLCDQLCIHYPRYCI-UHFFFAOYSA-N
XLogP3.62
TPSA115.84 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.67
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-hydroxy-7-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]chromen-4-one with MolForge

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Related Compounds

7-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]-3-[4-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]phenyl]chromen-4-one
CID 141259931
5-hydroxy-3-(4-methoxyphenyl)-7-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]chromen-4-one
CID 163355414
3-(4-bromophenyl)-7-ethoxy-5-hydroxychromen-4-one
CID 154926299
1-[4-(azepan-1-ylmethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 172660340
1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenoxy)propan-2-ol
CID 10380266
1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3145443
7-(difluoromethoxy)-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
CID 25061265
5-hydroxy-3-(4-methoxyphenyl)-7-[(4-propan-2-ylphenyl)methoxy]chromen-4-one
CID 163355407
3-[4-(4-bromobutoxy)phenyl]-5-hydroxy-7-(methoxymethoxy)chromen-4-one
CID 141260005
7-[3-(4-ethoxypiperazin-1-yl)-2-hydroxypropoxy]-3-phenylchromen-4-one
CID 56640606
1-(4-aminophenoxy)-3-(azocan-1-yl)propan-2-ol
CID 43364549
3-(3,5-dimethylphenoxy)-7-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)chromen-4-one
CID 4102579

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]chromen-4-one?
The IUPAC name of 5-hydroxy-7-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]chromen-4-one (CID 141259926) is 5-hydroxy-7-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]chromen-4-one.
What is the SMILES notation for 5-hydroxy-7-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]chromen-4-one?
The canonical SMILES for 5-hydroxy-7-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]chromen-4-one is O=c1c(-c2ccc(OCC(O)CN3CCCCC3)cc2)coc2cc(OCC(O)CN3CCCCC3)cc(O)c12.
What is the InChIKey of 5-hydroxy-7-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]chromen-4-one?
The InChIKey is LCDQLCIHYPRYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N2O7/c34-23(17-32-11-3-1-4-12-32)19-38-25-9-7-22(8-10-25)27-21-40-29-16-26(15-28(36)30(29)31(27)37)39-20-24(35)18-33-13-5-2-6-14-33/h7-10,15-16,21,23-24,34-36H,1-6,11-14,17-20H2.
What are the key properties of 5-hydroxy-7-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]chromen-4-one?
5-hydroxy-7-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]chromen-4-one has a molecular weight of 552.67 g/mol, XLogP of 3.62, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]chromen-4-one is sourced from PubChem (CID 141259926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).