5-(4-hydroxybutoxy)-7-(naphthalen-1-yloxymethyl)-2-propan-2-ylchromen-4-one;5-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-methyl-7-quinolin-4-yloxychromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-(pyrimidin-5-ylmethoxy)chromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]chromen-4-one

C105H101F3N4O20 — CID 159542458

IUPAC5-(4-hydroxybutoxy)-7-(naphthalen-1-yloxymethyl)-2-propan-2-ylchromen-4-one;5-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-methyl-7-quinolin-4-yloxychromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-(pyrimidin-5-ylmethoxy)chromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]chromen-4-one
SMILESCC(C)c1cc(=O)c2c(OCCCCO)cc(COc3cccc4ccccc34)cc2o1.CC(C)c1cc(=O)c2c(OCc3ccccc3CO)cc(OCc3cncnc3)cc2o1.CC(C)c1cc(=O)c2c(OCc3ccccc3CO)cc(Oc3cc(C(F)(F)F)ccn3)cc2o1.Cc1cc(=O)c2c(OCC3CCCCC3CO)cc(Oc3ccnc4ccccc34)cc2o1
InChIInChI=1S/C27H27NO5.C27H28O5.C26H22F3NO5.C25H24N2O5/c1-17-12-23(30)27-25(31-16-19-7-3-2-6-18(19)15-29)13-20(14-26(27)32-17)33-24-10-11-28-22-9-5-4-8-21(22)24;1-18(2)24-16-22(29)27-25(30-13-6-5-12-28)14-19(15-26(27)32-24)17-31-23-11-7-9-20-8-3-4-10-21(20)23;1-15(2)21-12-20(32)25-22(33-14-17-6-4-3-5-16(17)13-31)10-19(11-23(25)35-21)34-24-9-18(7-8-30-24)26(27,28)29;1-16(2)22-9-21(29)25-23(31-14-19-6-4-3-5-18(19)12-28)7-20(8-24(25)32-22)30-13-17-10-26-15-27-11-17/h4-5,8-14,18-19,29H,2-3,6-7,15-16H2,1H3;3-4,7-11,14-16,18,28H,5-6,12-13,17H2,1-2H3;3-12,15,31H,13-14H2,1-2H3;3-11,15-16,28H,12-14H2,1-2H3
InChIKeyMEJSKULCYDBYHO-UHFFFAOYSA-N
MW1795.96 g/mol
LogP21.97
Rot. Bonds30

About 5-(4-hydroxybutoxy)-7-(naphthalen-1-yloxymethyl)-2-propan-2-ylchromen-4-one;5-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-methyl-7-quinolin-4-yloxychromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-(pyrimidin-5-ylmethoxy)chromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]chromen-4-one

5-(4-hydroxybutoxy)-7-(naphthalen-1-yloxymethyl)-2-propan-2-ylchromen-4-one;5-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-methyl-7-quinolin-4-yloxychromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-(pyrimidin-5-ylmethoxy)chromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]chromen-4-one (PubChem CID 159542458) has the molecular formula C105H101F3N4O20 and a molecular weight of 1795.96 g/mol. Its IUPAC name is 5-(4-hydroxybutoxy)-7-(naphthalen-1-yloxymethyl)-2-propan-2-ylchromen-4-one;5-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-methyl-7-quinolin-4-yloxychromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-(pyrimidin-5-ylmethoxy)chromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]chromen-4-one.

Molecular Properties

Compound Name5-(4-hydroxybutoxy)-7-(naphthalen-1-yloxymethyl)-2-propan-2-ylchromen-4-one;5-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-methyl-7-quinolin-4-yloxychromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-(pyrimidin-5-ylmethoxy)chromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]chromen-4-one
PubChem CID159542458
Molecular FormulaC105H101F3N4O20
Molecular Weight1795.96 g/mol
Exact Mass1794.70
IUPAC Name5-(4-hydroxybutoxy)-7-(naphthalen-1-yloxymethyl)-2-propan-2-ylchromen-4-one;5-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-methyl-7-quinolin-4-yloxychromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-(pyrimidin-5-ylmethoxy)chromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]chromen-4-one
SMILESCC(C)c1cc(=O)c2c(OCCCCO)cc(COc3cccc4ccccc34)cc2o1.CC(C)c1cc(=O)c2c(OCc3ccccc3CO)cc(OCc3cncnc3)cc2o1.CC(C)c1cc(=O)c2c(OCc3ccccc3CO)cc(Oc3cc(C(F)(F)F)ccn3)cc2o1.Cc1cc(=O)c2c(OCC3CCCCC3CO)cc(Oc3ccnc4ccccc34)cc2o1
InChIInChI=1S/C27H27NO5.C27H28O5.C26H22F3NO5.C25H24N2O5/c1-17-12-23(30)27-25(31-16-19-7-3-2-6-18(19)15-29)13-20(14-26(27)32-17)33-24-10-11-28-22-9-5-4-8-21(22)24;1-18(2)24-16-22(29)27-25(30-13-6-5-12-28)14-19(15-26(27)32-24)17-31-23-11-7-9-20-8-3-4-10-21(20)23;1-15(2)21-12-20(32)25-22(33-14-17-6-4-3-5-16(17)13-31)10-19(11-23(25)35-21)34-24-9-18(7-8-30-24)26(27,28)29;1-16(2)22-9-21(29)25-23(31-14-19-6-4-3-5-18(19)12-28)7-20(8-24(25)32-22)30-13-17-10-26-15-27-11-17/h4-5,8-14,18-19,29H,2-3,6-7,15-16H2,1H3;3-4,7-11,14-16,18,28H,5-6,12-13,17H2,1-2H3;3-12,15,31H,13-14H2,1-2H3;3-11,15-16,28H,12-14H2,1-2H3
InChIKeyMEJSKULCYDBYHO-UHFFFAOYSA-N
XLogP21.97
TPSA327.16 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds30
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001795.96
LogP ≤ 521.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 5-(4-hydroxybutoxy)-7-(naphthalen-1-yloxymethyl)-2-propan-2-ylchromen-4-one;5-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-methyl-7-quinolin-4-yloxychromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-(pyrimidin-5-ylmethoxy)chromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]chromen-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxybutoxy)-7-(naphthalen-1-yloxymethyl)-2-propan-2-ylchromen-4-one;5-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-methyl-7-quinolin-4-yloxychromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-(pyrimidin-5-ylmethoxy)chromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]chromen-4-one?
The IUPAC name of 5-(4-hydroxybutoxy)-7-(naphthalen-1-yloxymethyl)-2-propan-2-ylchromen-4-one;5-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-methyl-7-quinolin-4-yloxychromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-(pyrimidin-5-ylmethoxy)chromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]chromen-4-one (CID 159542458) is 5-(4-hydroxybutoxy)-7-(naphthalen-1-yloxymethyl)-2-propan-2-ylchromen-4-one;5-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-methyl-7-quinolin-4-yloxychromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-(pyrimidin-5-ylmethoxy)chromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]chromen-4-one.
What is the SMILES notation for 5-(4-hydroxybutoxy)-7-(naphthalen-1-yloxymethyl)-2-propan-2-ylchromen-4-one;5-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-methyl-7-quinolin-4-yloxychromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-(pyrimidin-5-ylmethoxy)chromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]chromen-4-one?
The canonical SMILES for 5-(4-hydroxybutoxy)-7-(naphthalen-1-yloxymethyl)-2-propan-2-ylchromen-4-one;5-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-methyl-7-quinolin-4-yloxychromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-(pyrimidin-5-ylmethoxy)chromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]chromen-4-one is CC(C)c1cc(=O)c2c(OCCCCO)cc(COc3cccc4ccccc34)cc2o1.CC(C)c1cc(=O)c2c(OCc3ccccc3CO)cc(OCc3cncnc3)cc2o1.CC(C)c1cc(=O)c2c(OCc3ccccc3CO)cc(Oc3cc(C(F)(F)F)ccn3)cc2o1.Cc1cc(=O)c2c(OCC3CCCCC3CO)cc(Oc3ccnc4ccccc34)cc2o1.
What is the InChIKey of 5-(4-hydroxybutoxy)-7-(naphthalen-1-yloxymethyl)-2-propan-2-ylchromen-4-one;5-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-methyl-7-quinolin-4-yloxychromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-(pyrimidin-5-ylmethoxy)chromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]chromen-4-one?
The InChIKey is MEJSKULCYDBYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO5.C27H28O5.C26H22F3NO5.C25H24N2O5/c1-17-12-23(30)27-25(31-16-19-7-3-2-6-18(19)15-29)13-20(14-26(27)32-17)33-24-10-11-28-22-9-5-4-8-21(22)24;1-18(2)24-16-22(29)27-25(30-13-6-5-12-28)14-19(15-26(27)32-24)17-31-23-11-7-9-20-8-3-4-10-21(20)23;1-15(2)21-12-20(32)25-22(33-14-17-6-4-3-5-16(17)13-31)10-19(11-23(25)35-21)34-24-9-18(7-8-30-24)26(27,28)29;1-16(2)22-9-21(29)25-23(31-14-19-6-4-3-5-18(19)12-28)7-20(8-24(25)32-22)30-13-17-10-26-15-27-11-17/h4-5,8-14,18-19,29H,2-3,6-7,15-16H2,1H3;3-4,7-11,14-16,18,28H,5-6,12-13,17H2,1-2H3;3-12,15,31H,13-14H2,1-2H3;3-11,15-16,28H,12-14H2,1-2H3.
What are the key properties of 5-(4-hydroxybutoxy)-7-(naphthalen-1-yloxymethyl)-2-propan-2-ylchromen-4-one;5-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-methyl-7-quinolin-4-yloxychromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-(pyrimidin-5-ylmethoxy)chromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]chromen-4-one?
5-(4-hydroxybutoxy)-7-(naphthalen-1-yloxymethyl)-2-propan-2-ylchromen-4-one;5-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-methyl-7-quinolin-4-yloxychromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-(pyrimidin-5-ylmethoxy)chromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]chromen-4-one has a molecular weight of 1795.96 g/mol, XLogP of 21.97, 30 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxybutoxy)-7-(naphthalen-1-yloxymethyl)-2-propan-2-ylchromen-4-one;5-[[2-(hydroxymethyl)cyclohexyl]methoxy]-2-methyl-7-quinolin-4-yloxychromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-(pyrimidin-5-ylmethoxy)chromen-4-one;5-[[2-(hydroxymethyl)phenyl]methoxy]-2-propan-2-yl-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]chromen-4-one is sourced from PubChem (CID 159542458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).