4-methyl-7-(3-methylbut-2-enoxy)-8-[(E)-3-phenylprop-2-enoyl]chromen-2-one;4-methyl-7-(3-methylbut-2-enoxy)-8-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]chromen-2-one;4-methyl-7-(2-methylprop-2-enoxy)-8-[(E)-3-phenylprop-2-enoyl]chromen-2-one;4-methyl-7-(2-methylprop-1-enoxy)-8-(3-pyridin-3-ylprop-2-enoyl)chromen-2-one;4-methyl-7-(2-methylprop-2-enoxy)-8-[(E)-3-pyridin-3-ylprop-2-enoyl]chromen-2-one

C118H108N2O23 — CID 158580479

IUPAC4-methyl-7-(3-methylbut-2-enoxy)-8-[(E)-3-phenylprop-2-enoyl]chromen-2-one;4-methyl-7-(3-methylbut-2-enoxy)-8-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]chromen-2-one;4-methyl-7-(2-methylprop-2-enoxy)-8-[(E)-3-phenylprop-2-enoyl]chromen-2-one;4-methyl-7-(2-methylprop-1-enoxy)-8-(3-pyridin-3-ylprop-2-enoyl)chromen-2-one;4-methyl-7-(2-methylprop-2-enoxy)-8-[(E)-3-pyridin-3-ylprop-2-enoyl]chromen-2-one
SMILESC=C(C)COc1ccc2c(C)cc(=O)oc2c1C(=O)/C=C/c1ccccc1.C=C(C)COc1ccc2c(C)cc(=O)oc2c1C(=O)/C=C/c1cccnc1.CC(C)=CCOc1ccc2c(C)cc(=O)oc2c1C(=O)/C=C/c1ccccc1.CC(C)=COc1ccc2c(C)cc(=O)oc2c1C(=O)C=Cc1cccnc1.COc1cc(/C=C/C(=O)c2c(OCC=C(C)C)ccc3c(C)cc(=O)oc23)cc(OC)c1OC
InChIInChI=1S/C27H28O7.C24H22O4.C23H20O4.2C22H19NO4/c1-16(2)11-12-33-21-10-8-19-17(3)13-24(29)34-26(19)25(21)20(28)9-7-18-14-22(30-4)27(32-6)23(15-18)31-5;1-16(2)13-14-27-21-12-10-19-17(3)15-22(26)28-24(19)23(21)20(25)11-9-18-7-5-4-6-8-18;1-15(2)14-26-20-12-10-18-16(3)13-21(25)27-23(18)22(20)19(24)11-9-17-7-5-4-6-8-17;2*1-14(2)13-26-19-9-7-17-15(3)11-20(25)27-22(17)21(19)18(24)8-6-16-5-4-10-23-12-16/h7-11,13-15H,12H2,1-6H3;4-13,15H,14H2,1-3H3;4-13H,1,14H2,2-3H3;4-13H,1-3H3;4-12H,1,13H2,2-3H3/b9-7+;2*11-9+;;8-6+
InChIKeyHTERMKAUVOKMRQ-YRNRBLIRSA-N
MW1922.15 g/mol
LogP24.71
Rot. Bonds32

About 4-methyl-7-(3-methylbut-2-enoxy)-8-[(E)-3-phenylprop-2-enoyl]chromen-2-one;4-methyl-7-(3-methylbut-2-enoxy)-8-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]chromen-2-one;4-methyl-7-(2-methylprop-2-enoxy)-8-[(E)-3-phenylprop-2-enoyl]chromen-2-one;4-methyl-7-(2-methylprop-1-enoxy)-8-(3-pyridin-3-ylprop-2-enoyl)chromen-2-one;4-methyl-7-(2-methylprop-2-enoxy)-8-[(E)-3-pyridin-3-ylprop-2-enoyl]chromen-2-one

4-methyl-7-(3-methylbut-2-enoxy)-8-[(E)-3-phenylprop-2-enoyl]chromen-2-one;4-methyl-7-(3-methylbut-2-enoxy)-8-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]chromen-2-one;4-methyl-7-(2-methylprop-2-enoxy)-8-[(E)-3-phenylprop-2-enoyl]chromen-2-one;4-methyl-7-(2-methylprop-1-enoxy)-8-(3-pyridin-3-ylprop-2-enoyl)chromen-2-one;4-methyl-7-(2-methylprop-2-enoxy)-8-[(E)-3-pyridin-3-ylprop-2-enoyl]chromen-2-one (PubChem CID 158580479) has the molecular formula C118H108N2O23 and a molecular weight of 1922.15 g/mol. Its IUPAC name is 4-methyl-7-(3-methylbut-2-enoxy)-8-[(E)-3-phenylprop-2-enoyl]chromen-2-one;4-methyl-7-(3-methylbut-2-enoxy)-8-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]chromen-2-one;4-methyl-7-(2-methylprop-2-enoxy)-8-[(E)-3-phenylprop-2-enoyl]chromen-2-one;4-methyl-7-(2-methylprop-1-enoxy)-8-(3-pyridin-3-ylprop-2-enoyl)chromen-2-one;4-methyl-7-(2-methylprop-2-enoxy)-8-[(E)-3-pyridin-3-ylprop-2-enoyl]chromen-2-one.

Molecular Properties

Compound Name4-methyl-7-(3-methylbut-2-enoxy)-8-[(E)-3-phenylprop-2-enoyl]chromen-2-one;4-methyl-7-(3-methylbut-2-enoxy)-8-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]chromen-2-one;4-methyl-7-(2-methylprop-2-enoxy)-8-[(E)-3-phenylprop-2-enoyl]chromen-2-one;4-methyl-7-(2-methylprop-1-enoxy)-8-(3-pyridin-3-ylprop-2-enoyl)chromen-2-one;4-methyl-7-(2-methylprop-2-enoxy)-8-[(E)-3-pyridin-3-ylprop-2-enoyl]chromen-2-one
PubChem CID158580479
Molecular FormulaC118H108N2O23
Molecular Weight1922.15 g/mol
Exact Mass1920.73
IUPAC Name4-methyl-7-(3-methylbut-2-enoxy)-8-[(E)-3-phenylprop-2-enoyl]chromen-2-one;4-methyl-7-(3-methylbut-2-enoxy)-8-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]chromen-2-one;4-methyl-7-(2-methylprop-2-enoxy)-8-[(E)-3-phenylprop-2-enoyl]chromen-2-one;4-methyl-7-(2-methylprop-1-enoxy)-8-(3-pyridin-3-ylprop-2-enoyl)chromen-2-one;4-methyl-7-(2-methylprop-2-enoxy)-8-[(E)-3-pyridin-3-ylprop-2-enoyl]chromen-2-one
SMILESC=C(C)COc1ccc2c(C)cc(=O)oc2c1C(=O)/C=C/c1ccccc1.C=C(C)COc1ccc2c(C)cc(=O)oc2c1C(=O)/C=C/c1cccnc1.CC(C)=CCOc1ccc2c(C)cc(=O)oc2c1C(=O)/C=C/c1ccccc1.CC(C)=COc1ccc2c(C)cc(=O)oc2c1C(=O)C=Cc1cccnc1.COc1cc(/C=C/C(=O)c2c(OCC=C(C)C)ccc3c(C)cc(=O)oc23)cc(OC)c1OC
InChIInChI=1S/C27H28O7.C24H22O4.C23H20O4.2C22H19NO4/c1-16(2)11-12-33-21-10-8-19-17(3)13-24(29)34-26(19)25(21)20(28)9-7-18-14-22(30-4)27(32-6)23(15-18)31-5;1-16(2)13-14-27-21-12-10-19-17(3)15-22(26)28-24(19)23(21)20(25)11-9-18-7-5-4-6-8-18;1-15(2)14-26-20-12-10-18-16(3)13-21(25)27-23(18)22(20)19(24)11-9-17-7-5-4-6-8-17;2*1-14(2)13-26-19-9-7-17-15(3)11-20(25)27-22(17)21(19)18(24)8-6-16-5-4-10-23-12-16/h7-11,13-15H,12H2,1-6H3;4-13,15H,14H2,1-3H3;4-13H,1,14H2,2-3H3;4-13H,1-3H3;4-12H,1,13H2,2-3H3/b9-7+;2*11-9+;;8-6+
InChIKeyHTERMKAUVOKMRQ-YRNRBLIRSA-N
XLogP24.71
TPSA336.02 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds32
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001922.15
LogP ≤ 524.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-methyl-7-(3-methylbut-2-enoxy)-8-[(E)-3-phenylprop-2-enoyl]chromen-2-one;4-methyl-7-(3-methylbut-2-enoxy)-8-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]chromen-2-one;4-methyl-7-(2-methylprop-2-enoxy)-8-[(E)-3-phenylprop-2-enoyl]chromen-2-one;4-methyl-7-(2-methylprop-1-enoxy)-8-(3-pyridin-3-ylprop-2-enoyl)chromen-2-one;4-methyl-7-(2-methylprop-2-enoxy)-8-[(E)-3-pyridin-3-ylprop-2-enoyl]chromen-2-one with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[2-[2-[2-[2-[4-(4-Oxochromen-2-yl)phenoxy]ethoxy]ethyl-(pyridin-4-ylmethyl)amino]ethoxy]ethoxy]phenyl]chromen-4-one
CID 54578677
2-[4-[2-[2-[2-[2-[4-(4-Oxochromen-2-yl)phenoxy]ethoxy]ethyl-(pyridin-3-ylmethyl)amino]ethoxy]ethoxy]phenyl]chromen-4-one
CID 71451757
3-(3,5-dimethylphenoxy)-4-oxo-4H-chromen-7-yl nicotinate
CID 1181201
2,3-Dimethoxy-7-(2-pyridin-2-ylethynyl)xanthen-9-one
CID 24747810
2-[3-Methoxy-4-[2-[2-[2-[2-[2-methoxy-4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethyl-(pyridin-4-ylmethyl)amino]ethoxy]ethoxy]phenyl]chromen-4-one
CID 71455310
8-Acetyl-4-methyl-7-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]chromen-2-one
CID 145962985
8-Acetyl-4-methyl-7-[4-(4-pyridin-4-ylpiperazin-1-yl)butoxy]chromen-2-one
CID 145963059
5,7-dimethoxy-3-[3-[2-[(1E,4E)-3-oxo-5-pyridin-2-ylpenta-1,4-dienyl]phenoxy]propoxy]-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 145979255
7,8-dimethoxy-2-(4-pyridinyl)-4H-chromen-4-one
CID 244087
[(1S,14S)-9,20,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-21-yl] pyridine-3-carboxylate
CID 117726779
Pde4-IN-12
CID 165412714
Mls000737296
CID 244086

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(3-methylbut-2-enoxy)-8-[(E)-3-phenylprop-2-enoyl]chromen-2-one;4-methyl-7-(3-methylbut-2-enoxy)-8-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]chromen-2-one;4-methyl-7-(2-methylprop-2-enoxy)-8-[(E)-3-phenylprop-2-enoyl]chromen-2-one;4-methyl-7-(2-methylprop-1-enoxy)-8-(3-pyridin-3-ylprop-2-enoyl)chromen-2-one;4-methyl-7-(2-methylprop-2-enoxy)-8-[(E)-3-pyridin-3-ylprop-2-enoyl]chromen-2-one?
The IUPAC name of 4-methyl-7-(3-methylbut-2-enoxy)-8-[(E)-3-phenylprop-2-enoyl]chromen-2-one;4-methyl-7-(3-methylbut-2-enoxy)-8-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]chromen-2-one;4-methyl-7-(2-methylprop-2-enoxy)-8-[(E)-3-phenylprop-2-enoyl]chromen-2-one;4-methyl-7-(2-methylprop-1-enoxy)-8-(3-pyridin-3-ylprop-2-enoyl)chromen-2-one;4-methyl-7-(2-methylprop-2-enoxy)-8-[(E)-3-pyridin-3-ylprop-2-enoyl]chromen-2-one (CID 158580479) is 4-methyl-7-(3-methylbut-2-enoxy)-8-[(E)-3-phenylprop-2-enoyl]chromen-2-one;4-methyl-7-(3-methylbut-2-enoxy)-8-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]chromen-2-one;4-methyl-7-(2-methylprop-2-enoxy)-8-[(E)-3-phenylprop-2-enoyl]chromen-2-one;4-methyl-7-(2-methylprop-1-enoxy)-8-(3-pyridin-3-ylprop-2-enoyl)chromen-2-one;4-methyl-7-(2-methylprop-2-enoxy)-8-[(E)-3-pyridin-3-ylprop-2-enoyl]chromen-2-one.
What is the SMILES notation for 4-methyl-7-(3-methylbut-2-enoxy)-8-[(E)-3-phenylprop-2-enoyl]chromen-2-one;4-methyl-7-(3-methylbut-2-enoxy)-8-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]chromen-2-one;4-methyl-7-(2-methylprop-2-enoxy)-8-[(E)-3-phenylprop-2-enoyl]chromen-2-one;4-methyl-7-(2-methylprop-1-enoxy)-8-(3-pyridin-3-ylprop-2-enoyl)chromen-2-one;4-methyl-7-(2-methylprop-2-enoxy)-8-[(E)-3-pyridin-3-ylprop-2-enoyl]chromen-2-one?
The canonical SMILES for 4-methyl-7-(3-methylbut-2-enoxy)-8-[(E)-3-phenylprop-2-enoyl]chromen-2-one;4-methyl-7-(3-methylbut-2-enoxy)-8-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]chromen-2-one;4-methyl-7-(2-methylprop-2-enoxy)-8-[(E)-3-phenylprop-2-enoyl]chromen-2-one;4-methyl-7-(2-methylprop-1-enoxy)-8-(3-pyridin-3-ylprop-2-enoyl)chromen-2-one;4-methyl-7-(2-methylprop-2-enoxy)-8-[(E)-3-pyridin-3-ylprop-2-enoyl]chromen-2-one is C=C(C)COc1ccc2c(C)cc(=O)oc2c1C(=O)/C=C/c1ccccc1.C=C(C)COc1ccc2c(C)cc(=O)oc2c1C(=O)/C=C/c1cccnc1.CC(C)=CCOc1ccc2c(C)cc(=O)oc2c1C(=O)/C=C/c1ccccc1.CC(C)=COc1ccc2c(C)cc(=O)oc2c1C(=O)C=Cc1cccnc1.COc1cc(/C=C/C(=O)c2c(OCC=C(C)C)ccc3c(C)cc(=O)oc23)cc(OC)c1OC.
What is the InChIKey of 4-methyl-7-(3-methylbut-2-enoxy)-8-[(E)-3-phenylprop-2-enoyl]chromen-2-one;4-methyl-7-(3-methylbut-2-enoxy)-8-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]chromen-2-one;4-methyl-7-(2-methylprop-2-enoxy)-8-[(E)-3-phenylprop-2-enoyl]chromen-2-one;4-methyl-7-(2-methylprop-1-enoxy)-8-(3-pyridin-3-ylprop-2-enoyl)chromen-2-one;4-methyl-7-(2-methylprop-2-enoxy)-8-[(E)-3-pyridin-3-ylprop-2-enoyl]chromen-2-one?
The InChIKey is HTERMKAUVOKMRQ-YRNRBLIRSA-N. The full InChI is InChI=1S/C27H28O7.C24H22O4.C23H20O4.2C22H19NO4/c1-16(2)11-12-33-21-10-8-19-17(3)13-24(29)34-26(19)25(21)20(28)9-7-18-14-22(30-4)27(32-6)23(15-18)31-5;1-16(2)13-14-27-21-12-10-19-17(3)15-22(26)28-24(19)23(21)20(25)11-9-18-7-5-4-6-8-18;1-15(2)14-26-20-12-10-18-16(3)13-21(25)27-23(18)22(20)19(24)11-9-17-7-5-4-6-8-17;2*1-14(2)13-26-19-9-7-17-15(3)11-20(25)27-22(17)21(19)18(24)8-6-16-5-4-10-23-12-16/h7-11,13-15H,12H2,1-6H3;4-13,15H,14H2,1-3H3;4-13H,1,14H2,2-3H3;4-13H,1-3H3;4-12H,1,13H2,2-3H3/b9-7+;2*11-9+;;8-6+.
What are the key properties of 4-methyl-7-(3-methylbut-2-enoxy)-8-[(E)-3-phenylprop-2-enoyl]chromen-2-one;4-methyl-7-(3-methylbut-2-enoxy)-8-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]chromen-2-one;4-methyl-7-(2-methylprop-2-enoxy)-8-[(E)-3-phenylprop-2-enoyl]chromen-2-one;4-methyl-7-(2-methylprop-1-enoxy)-8-(3-pyridin-3-ylprop-2-enoyl)chromen-2-one;4-methyl-7-(2-methylprop-2-enoxy)-8-[(E)-3-pyridin-3-ylprop-2-enoyl]chromen-2-one?
4-methyl-7-(3-methylbut-2-enoxy)-8-[(E)-3-phenylprop-2-enoyl]chromen-2-one;4-methyl-7-(3-methylbut-2-enoxy)-8-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]chromen-2-one;4-methyl-7-(2-methylprop-2-enoxy)-8-[(E)-3-phenylprop-2-enoyl]chromen-2-one;4-methyl-7-(2-methylprop-1-enoxy)-8-(3-pyridin-3-ylprop-2-enoyl)chromen-2-one;4-methyl-7-(2-methylprop-2-enoxy)-8-[(E)-3-pyridin-3-ylprop-2-enoyl]chromen-2-one has a molecular weight of 1922.15 g/mol, XLogP of 24.71, 32 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(3-methylbut-2-enoxy)-8-[(E)-3-phenylprop-2-enoyl]chromen-2-one;4-methyl-7-(3-methylbut-2-enoxy)-8-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]chromen-2-one;4-methyl-7-(2-methylprop-2-enoxy)-8-[(E)-3-phenylprop-2-enoyl]chromen-2-one;4-methyl-7-(2-methylprop-1-enoxy)-8-(3-pyridin-3-ylprop-2-enoyl)chromen-2-one;4-methyl-7-(2-methylprop-2-enoxy)-8-[(E)-3-pyridin-3-ylprop-2-enoyl]chromen-2-one is sourced from PubChem (CID 158580479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).