[(5R)-8-hydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate;[(11R)-8-hydroxy-11-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate

C68H74N2O12 — CID 161151245

IUPAC[(5R)-8-hydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate;[(11R)-8-hydroxy-11-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)Oc1ccc2c(c1)OCC1=C2[C@@H](c2ccc(OCCN3CCCCC3)cc2)Oc2cc(O)ccc21.CC(C)(C)C(=O)Oc1ccc2c(c1)O[C@H](c1ccc(OCCN3CCCCC3)cc1)C1=C2COc2cc(O)ccc21
InChIInChI=1S/2C34H37NO6/c1-34(2,3)33(37)40-25-12-14-26-28-21-39-29-19-23(36)9-13-27(29)31(28)32(41-30(26)20-25)22-7-10-24(11-8-22)38-18-17-35-15-5-4-6-16-35;1-34(2,3)33(37)40-25-12-14-27-29(20-25)39-21-28-26-13-9-23(36)19-30(26)41-32(31(27)28)22-7-10-24(11-8-22)38-18-17-35-15-5-4-6-16-35/h2*7-14,19-20,32,36H,4-6,15-18,21H2,1-3H3/t2*32-/m11/s1
InChIKeyUOSAMRGMBAFVLF-VTPBISSNSA-N
MW1111.34 g/mol
LogP13.29
Rot. Bonds12

About [(5R)-8-hydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate;[(11R)-8-hydroxy-11-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate

[(5R)-8-hydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate;[(11R)-8-hydroxy-11-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate (PubChem CID 161151245) has the molecular formula C68H74N2O12 and a molecular weight of 1111.34 g/mol. Its IUPAC name is [(5R)-8-hydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate;[(11R)-8-hydroxy-11-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(5R)-8-hydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate;[(11R)-8-hydroxy-11-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate
PubChem CID161151245
Molecular FormulaC68H74N2O12
Molecular Weight1111.34 g/mol
Exact Mass1110.52
IUPAC Name[(5R)-8-hydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate;[(11R)-8-hydroxy-11-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)Oc1ccc2c(c1)OCC1=C2[C@@H](c2ccc(OCCN3CCCCC3)cc2)Oc2cc(O)ccc21.CC(C)(C)C(=O)Oc1ccc2c(c1)O[C@H](c1ccc(OCCN3CCCCC3)cc1)C1=C2COc2cc(O)ccc21
InChIInChI=1S/2C34H37NO6/c1-34(2,3)33(37)40-25-12-14-26-28-21-39-29-19-23(36)9-13-27(29)31(28)32(41-30(26)20-25)22-7-10-24(11-8-22)38-18-17-35-15-5-4-6-16-35;1-34(2,3)33(37)40-25-12-14-27-29(20-25)39-21-28-26-13-9-23(36)19-30(26)41-32(31(27)28)22-7-10-24(11-8-22)38-18-17-35-15-5-4-6-16-35/h2*7-14,19-20,32,36H,4-6,15-18,21H2,1-3H3/t2*32-/m11/s1
InChIKeyUOSAMRGMBAFVLF-VTPBISSNSA-N
XLogP13.29
TPSA154.92 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001111.34
LogP ≤ 513.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze [(5R)-8-hydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate;[(11R)-8-hydroxy-11-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate with MolForge

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Related Compounds

[(5S)-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate;[(5R)-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate
CID 159100804
[4-[(2S)-7-(2,2-dimethylpropanoyloxy)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-3-yl]phenyl] 2,2-dimethylpropanoate;(2S)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2H-chromen-7-ol;chloride
CID 158866042
(19R)-19-[4-(2-piperidin-1-ylethoxy)phenyl]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2,4,6,12(17),13,15-heptaen-15-ol
CID 44596575
[5-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-(2,2-dimethylpropanoyloxy)-5-methyl-11H-chromeno[4,3-c]chromen-8-yl] 2,2-dimethylpropanoate
CID 21051968
(19S)-19-[4-(2-thiomorpholin-4-ylethoxy)phenyl]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),13,15-heptaene-5,15-diol
CID 44597097
[3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-yl] acetate;[3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-yl] 2,2-dimethylpropanoate
CID 54437365
3-(4-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol
CID 10141600
4-[(2S)-7-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-3-yl]phenol
CID 16656741
tert-butyl-dimethyl-[[19-[4-(2-piperidin-1-ylethoxy)phenyl]-8,18-dioxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12,14,16-heptaen-5-yl]oxy]silane
CID 69314333
[8-[[2-(2,2-dimethylpropanoyloxy)-5-methyl-5-[3-(2-piperidin-1-ylethoxy)phenyl]-11H-chromeno[4,3-c]chromen-8-yl]oxy]-5-methyl-5-[3-(2-piperidin-1-ylethoxy)phenyl]-11H-chromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate
CID 161042461
[5-methyl-5-[3-(2-piperidin-1-ylethoxy)phenyl]-11H-chromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate
CID 91453957
4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-3-(2-trimethylsilylethoxymethyl)-2H-chromen-7-ol
CID 58676726

Frequently Asked Questions

What is the IUPAC name of [(5R)-8-hydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate;[(11R)-8-hydroxy-11-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate?
The IUPAC name of [(5R)-8-hydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate;[(11R)-8-hydroxy-11-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate (CID 161151245) is [(5R)-8-hydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate;[(11R)-8-hydroxy-11-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(5R)-8-hydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate;[(11R)-8-hydroxy-11-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [(5R)-8-hydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate;[(11R)-8-hydroxy-11-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)Oc1ccc2c(c1)OCC1=C2[C@@H](c2ccc(OCCN3CCCCC3)cc2)Oc2cc(O)ccc21.CC(C)(C)C(=O)Oc1ccc2c(c1)O[C@H](c1ccc(OCCN3CCCCC3)cc1)C1=C2COc2cc(O)ccc21.
What is the InChIKey of [(5R)-8-hydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate;[(11R)-8-hydroxy-11-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate?
The InChIKey is UOSAMRGMBAFVLF-VTPBISSNSA-N. The full InChI is InChI=1S/2C34H37NO6/c1-34(2,3)33(37)40-25-12-14-26-28-21-39-29-19-23(36)9-13-27(29)31(28)32(41-30(26)20-25)22-7-10-24(11-8-22)38-18-17-35-15-5-4-6-16-35;1-34(2,3)33(37)40-25-12-14-27-29(20-25)39-21-28-26-13-9-23(36)19-30(26)41-32(31(27)28)22-7-10-24(11-8-22)38-18-17-35-15-5-4-6-16-35/h2*7-14,19-20,32,36H,4-6,15-18,21H2,1-3H3/t2*32-/m11/s1.
What are the key properties of [(5R)-8-hydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate;[(11R)-8-hydroxy-11-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate?
[(5R)-8-hydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate;[(11R)-8-hydroxy-11-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate has a molecular weight of 1111.34 g/mol, XLogP of 13.29, 12 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-8-hydroxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate;[(11R)-8-hydroxy-11-[4-(2-piperidin-1-ylethoxy)phenyl]-5,11-dihydrochromeno[4,3-c]chromen-2-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 161151245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).