1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione

C136H129F4NO22 — CID 159008660

IUPAC1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione
SMILESCOc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)CCCO2.Cc1cccc(C(=O)CCC(=O)c2ccc3c(c2)CCCO3)c1.Cc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ccc2c(c1)CCCO2)c1ccccc1.O=C(CCC(=O)c1ccccc1C(F)(F)F)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ccccc1F)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ccccn1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C20H17F3O3.C20H20O4.2C20H20O3.C19H17FO3.C19H18O3.C18H17NO3/c21-20(22,23)16-6-2-1-5-15(16)18(25)9-8-17(24)13-7-10-19-14(12-13)4-3-11-26-19;1-23-20-7-3-2-6-16(20)18(22)10-9-17(21)14-8-11-19-15(13-14)5-4-12-24-19;1-14-4-2-5-15(12-14)18(21)8-9-19(22)16-7-10-20-17(13-16)6-3-11-23-20;1-14-5-2-3-7-17(14)19(22)10-9-18(21)15-8-11-20-16(13-15)6-4-12-23-20;20-16-6-2-1-5-15(16)18(22)9-8-17(21)13-7-10-19-14(12-13)4-3-11-23-19;20-17(14-5-2-1-3-6-14)9-10-18(21)15-8-11-19-16(13-15)7-4-12-22-19;20-16(7-8-17(21)15-5-1-2-10-19-15)13-6-9-18-14(12-13)4-3-11-22-18/h1-2,5-7,10,12H,3-4,8-9,11H2;2-3,6-8,11,13H,4-5,9-10,12H2,1H3;2,4-5,7,10,12-13H,3,6,8-9,11H2,1H3;2-3,5,7-8,11,13H,4,6,9-10,12H2,1H3;1-2,5-7,10,12H,3-4,8-9,11H2;1-3,5-6,8,11,13H,4,7,9-10,12H2;1-2,5-6,9-10,12H,3-4,7-8,11H2
InChIKeyJSFUQLNDKIOETQ-UHFFFAOYSA-N
MW2205.50 g/mol
LogP28.18
Rot. Bonds36

About 1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione

1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione (PubChem CID 159008660) has the molecular formula C136H129F4NO22 and a molecular weight of 2205.50 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione
PubChem CID159008660
Molecular FormulaC136H129F4NO22
Molecular Weight2205.50 g/mol
Exact Mass2203.89
IUPAC Name1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione
SMILESCOc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)CCCO2.Cc1cccc(C(=O)CCC(=O)c2ccc3c(c2)CCCO3)c1.Cc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ccc2c(c1)CCCO2)c1ccccc1.O=C(CCC(=O)c1ccccc1C(F)(F)F)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ccccc1F)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ccccn1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C20H17F3O3.C20H20O4.2C20H20O3.C19H17FO3.C19H18O3.C18H17NO3/c21-20(22,23)16-6-2-1-5-15(16)18(25)9-8-17(24)13-7-10-19-14(12-13)4-3-11-26-19;1-23-20-7-3-2-6-16(20)18(22)10-9-17(21)14-8-11-19-15(13-14)5-4-12-24-19;1-14-4-2-5-15(12-14)18(21)8-9-19(22)16-7-10-20-17(13-16)6-3-11-23-20;1-14-5-2-3-7-17(14)19(22)10-9-18(21)15-8-11-20-16(13-15)6-4-12-23-20;20-16-6-2-1-5-15(16)18(22)9-8-17(21)13-7-10-19-14(12-13)4-3-11-23-19;20-17(14-5-2-1-3-6-14)9-10-18(21)15-8-11-19-16(13-15)7-4-12-22-19;20-16(7-8-17(21)15-5-1-2-10-19-15)13-6-9-18-14(12-13)4-3-11-22-18/h1-2,5-7,10,12H,3-4,8-9,11H2;2-3,6-8,11,13H,4-5,9-10,12H2,1H3;2,4-5,7,10,12-13H,3,6,8-9,11H2,1H3;2-3,5,7-8,11,13H,4,6,9-10,12H2,1H3;1-2,5-7,10,12H,3-4,8-9,11H2;1-3,5-6,8,11,13H,4,7,9-10,12H2;1-2,5-6,9-10,12H,3-4,7-8,11H2
InChIKeyJSFUQLNDKIOETQ-UHFFFAOYSA-N
XLogP28.18
TPSA325.71 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds36
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002205.50
LogP ≤ 528.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione with MolForge

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Related Compounds

(3E)-3-(pyridin-2-ylmethylidene)-6-[4-(trifluoromethoxy)phenyl]chromen-4-one
CID 71183107
3-(Pyridin-2-ylmethyl)-6-(4-(trifluoromethoxy)phenyl)chroman-4-one
CID 71183145
3-(Pyridin-2-ylmethylene)-6-(4-(trifluoromethoxy)phenyl)chroman-4-one
CID 78023548
1-(3,4-dihydro-2H-chromen-6-yl)-4-[3-(trifluoromethyl)pyridin-2-yl]butane-1,4-dione
CID 90363855
1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione
CID 90363861
1-[2-[[[6-[4-(3,4-dihydro-2H-chromen-6-yl)-4-oxobutanoyl]-5-fluoro-2-pyridinyl]methyl-methylamino]methyl]phenyl]-4-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)butane-1,4-dione
CID 123290521
1-[2-[[5-Methyl-6-[4-oxo-4-[2-(trifluoromethyl)phenyl]butanoyl]pyridin-2-yl]oxymethyl]phenyl]-4-[2-[[4-methyl-3-[4-oxo-4-[3-(trifluoromethyl)pyridin-2-yl]butanoyl]phenyl]methyl]phenyl]butane-1,4-dione
CID 123789948
1-(4-Ethoxyphenyl)-2-pyridin-1-ium-1-ylethanone;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139731649
1-(4-Octadecoxyphenyl)-2-pyridin-1-ium-1-ylethanone;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139731806
1-(4-Propoxyphenyl)-2-pyridin-1-ium-1-ylethanone;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139732465
2-Isoquinolin-2-ium-2-yl-1-(4-octadecoxyphenyl)ethanone;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139739048
2-Isoquinolin-2-ium-2-yl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethanone;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139740011

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione (CID 159008660) is 1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione is COc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)CCCO2.Cc1cccc(C(=O)CCC(=O)c2ccc3c(c2)CCCO3)c1.Cc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ccc2c(c1)CCCO2)c1ccccc1.O=C(CCC(=O)c1ccccc1C(F)(F)F)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ccccc1F)c1ccc2c(c1)CCCO2.O=C(CCC(=O)c1ccccn1)c1ccc2c(c1)CCCO2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione?
The InChIKey is JSFUQLNDKIOETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3O3.C20H20O4.2C20H20O3.C19H17FO3.C19H18O3.C18H17NO3/c21-20(22,23)16-6-2-1-5-15(16)18(25)9-8-17(24)13-7-10-19-14(12-13)4-3-11-26-19;1-23-20-7-3-2-6-16(20)18(22)10-9-17(21)14-8-11-19-15(13-14)5-4-12-24-19;1-14-4-2-5-15(12-14)18(21)8-9-19(22)16-7-10-20-17(13-16)6-3-11-23-20;1-14-5-2-3-7-17(14)19(22)10-9-18(21)15-8-11-20-16(13-15)6-4-12-23-20;20-16-6-2-1-5-15(16)18(22)9-8-17(21)13-7-10-19-14(12-13)4-3-11-23-19;20-17(14-5-2-1-3-6-14)9-10-18(21)15-8-11-19-16(13-15)7-4-12-22-19;20-16(7-8-17(21)15-5-1-2-10-19-15)13-6-9-18-14(12-13)4-3-11-22-18/h1-2,5-7,10,12H,3-4,8-9,11H2;2-3,6-8,11,13H,4-5,9-10,12H2,1H3;2,4-5,7,10,12-13H,3,6,8-9,11H2,1H3;2-3,5,7-8,11,13H,4,6,9-10,12H2,1H3;1-2,5-7,10,12H,3-4,8-9,11H2;1-3,5-6,8,11,13H,4,7,9-10,12H2;1-2,5-6,9-10,12H,3-4,7-8,11H2.
What are the key properties of 1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione?
1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione has a molecular weight of 2205.50 g/mol, XLogP of 28.18, 36 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-fluorophenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methoxyphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-phenylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(3,4-dihydro-2H-chromen-6-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione is sourced from PubChem (CID 159008660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).