tert-butyl 2-[4-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]phenyl]propanoate;2-[4-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;methane;2-[4-[6-(methanesulfonamido)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;7-[4-(1-methoxypropan-2-yl)phenyl]-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-6-one;2-[4-[5-(2-methylprop-1-enyl)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;2-[4-(6-oxo-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl)phenyl]propanoic acid;2-[4-(7-oxo-5H-[1,3]dioxolo[4,5-f]isoindol-6-yl)phenyl]propanoic acid;2-[4-[3-oxo-5-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-2-yl]phenyl]propanoic acid

C157H150F7N9O33S — CID 157049434

IUPACtert-butyl 2-[4-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]phenyl]propanoate;2-[4-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;methane;2-[4-[6-(methanesulfonamido)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;7-[4-(1-methoxypropan-2-yl)phenyl]-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-6-one;2-[4-[5-(2-methylprop-1-enyl)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;2-[4-(6-oxo-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl)phenyl]propanoic acid;2-[4-(7-oxo-5H-[1,3]dioxolo[4,5-f]isoindol-6-yl)phenyl]propanoic acid;2-[4-[3-oxo-5-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-2-yl]phenyl]propanoic acid
SMILESC.CC(C(=O)O)c1ccc(N2Cc3cc(NS(C)(=O)=O)ccc3C2=O)cc1.CC(C(=O)O)c1ccc(N2Cc3cc4c(cc3C2=O)OCCO4)cc1.CC(C(=O)O)c1ccc(N2Cc3cc4c(cc3C2=O)OCO4)cc1.CC(C(=O)O)c1ccc(N2Cc3ccc(/C=C/C(F)(F)F)cc3C2=O)cc1.CC(C(=O)O)c1ccc(N2Cc3ccc(OC(F)F)cc3C2=O)cc1.CC(C(=O)OC(C)(C)C)c1ccc(N2Cc3ccc(OC(F)F)cc3C2=O)cc1.CC(C)=Cc1ccc2c(c1)C(=O)N(c1ccc(C(C)C(=O)O)cc1)C2.COCC(C)c1ccc(N2Cc3cc4c(cc3C2=O)OCCO4)cc1
InChIInChI=1S/C22H23F2NO4.C21H21NO3.C20H16F3NO3.C20H21NO4.C19H17NO5.C18H15F2NO4.C18H18N2O5S.C18H15NO5.CH4/c1-13(20(27)29-22(2,3)4)14-5-8-16(9-6-14)25-12-15-7-10-17(28-21(23)24)11-18(15)19(25)26;1-13(2)10-15-4-5-17-12-22(20(23)19(17)11-15)18-8-6-16(7-9-18)14(3)21(24)25;1-12(19(26)27)14-4-6-16(7-5-14)24-11-15-3-2-13(8-9-20(21,22)23)10-17(15)18(24)25;1-13(12-23-2)14-3-5-16(6-4-14)21-11-15-9-18-19(25-8-7-24-18)10-17(15)20(21)22;1-11(19(22)23)12-2-4-14(5-3-12)20-10-13-8-16-17(25-7-6-24-16)9-15(13)18(20)21;1-10(17(23)24)11-2-5-13(6-3-11)21-9-12-4-7-14(25-18(19)20)8-15(12)16(21)22;1-11(18(22)23)12-3-6-15(7-4-12)20-10-13-9-14(19-26(2,24)25)5-8-16(13)17(20)21;1-10(18(21)22)11-2-4-13(5-3-11)19-8-12-6-15-16(24-9-23-15)7-14(12)17(19)20;/h5-11,13,21H,12H2,1-4H3;4-11,14H,12H2,1-3H3,(H,24,25);2-10,12H,11H2,1H3,(H,26,27);3-6,9-10,13H,7-8,11-12H2,1-2H3;2-5,8-9,11H,6-7,10H2,1H3,(H,22,23);2-8,10,18H,9H2,1H3,(H,23,24);3-9,11,19H,10H2,1-2H3,(H,22,23);2-7,10H,8-9H2,1H3,(H,21,22);1H4/b;;9-8+;;;;;;
InChIKeyAAAHLHDGKYYJMY-WJLOSYDESA-N
MW2856.01 g/mol
LogP29.58
Rot. Bonds33

About tert-butyl 2-[4-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]phenyl]propanoate;2-[4-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;methane;2-[4-[6-(methanesulfonamido)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;7-[4-(1-methoxypropan-2-yl)phenyl]-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-6-one;2-[4-[5-(2-methylprop-1-enyl)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;2-[4-(6-oxo-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl)phenyl]propanoic acid;2-[4-(7-oxo-5H-[1,3]dioxolo[4,5-f]isoindol-6-yl)phenyl]propanoic acid;2-[4-[3-oxo-5-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-2-yl]phenyl]propanoic acid

tert-butyl 2-[4-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]phenyl]propanoate;2-[4-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;methane;2-[4-[6-(methanesulfonamido)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;7-[4-(1-methoxypropan-2-yl)phenyl]-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-6-one;2-[4-[5-(2-methylprop-1-enyl)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;2-[4-(6-oxo-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl)phenyl]propanoic acid;2-[4-(7-oxo-5H-[1,3]dioxolo[4,5-f]isoindol-6-yl)phenyl]propanoic acid;2-[4-[3-oxo-5-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-2-yl]phenyl]propanoic acid (PubChem CID 157049434) has the molecular formula C157H150F7N9O33S and a molecular weight of 2856.01 g/mol. Its IUPAC name is tert-butyl 2-[4-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]phenyl]propanoate;2-[4-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;methane;2-[4-[6-(methanesulfonamido)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;7-[4-(1-methoxypropan-2-yl)phenyl]-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-6-one;2-[4-[5-(2-methylprop-1-enyl)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;2-[4-(6-oxo-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl)phenyl]propanoic acid;2-[4-(7-oxo-5H-[1,3]dioxolo[4,5-f]isoindol-6-yl)phenyl]propanoic acid;2-[4-[3-oxo-5-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-2-yl]phenyl]propanoic acid.

Molecular Properties

Compound Nametert-butyl 2-[4-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]phenyl]propanoate;2-[4-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;methane;2-[4-[6-(methanesulfonamido)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;7-[4-(1-methoxypropan-2-yl)phenyl]-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-6-one;2-[4-[5-(2-methylprop-1-enyl)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;2-[4-(6-oxo-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl)phenyl]propanoic acid;2-[4-(7-oxo-5H-[1,3]dioxolo[4,5-f]isoindol-6-yl)phenyl]propanoic acid;2-[4-[3-oxo-5-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-2-yl]phenyl]propanoic acid
PubChem CID157049434
Molecular FormulaC157H150F7N9O33S
Molecular Weight2856.01 g/mol
Exact Mass2853.99
IUPAC Nametert-butyl 2-[4-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]phenyl]propanoate;2-[4-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;methane;2-[4-[6-(methanesulfonamido)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;7-[4-(1-methoxypropan-2-yl)phenyl]-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-6-one;2-[4-[5-(2-methylprop-1-enyl)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;2-[4-(6-oxo-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl)phenyl]propanoic acid;2-[4-(7-oxo-5H-[1,3]dioxolo[4,5-f]isoindol-6-yl)phenyl]propanoic acid;2-[4-[3-oxo-5-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-2-yl]phenyl]propanoic acid
SMILESC.CC(C(=O)O)c1ccc(N2Cc3cc(NS(C)(=O)=O)ccc3C2=O)cc1.CC(C(=O)O)c1ccc(N2Cc3cc4c(cc3C2=O)OCCO4)cc1.CC(C(=O)O)c1ccc(N2Cc3cc4c(cc3C2=O)OCO4)cc1.CC(C(=O)O)c1ccc(N2Cc3ccc(/C=C/C(F)(F)F)cc3C2=O)cc1.CC(C(=O)O)c1ccc(N2Cc3ccc(OC(F)F)cc3C2=O)cc1.CC(C(=O)OC(C)(C)C)c1ccc(N2Cc3ccc(OC(F)F)cc3C2=O)cc1.CC(C)=Cc1ccc2c(c1)C(=O)N(c1ccc(C(C)C(=O)O)cc1)C2.COCC(C)c1ccc(N2Cc3cc4c(cc3C2=O)OCCO4)cc1
InChIInChI=1S/C22H23F2NO4.C21H21NO3.C20H16F3NO3.C20H21NO4.C19H17NO5.C18H15F2NO4.C18H18N2O5S.C18H15NO5.CH4/c1-13(20(27)29-22(2,3)4)14-5-8-16(9-6-14)25-12-15-7-10-17(28-21(23)24)11-18(15)19(25)26;1-13(2)10-15-4-5-17-12-22(20(23)19(17)11-15)18-8-6-16(7-9-18)14(3)21(24)25;1-12(19(26)27)14-4-6-16(7-5-14)24-11-15-3-2-13(8-9-20(21,22)23)10-17(15)18(24)25;1-13(12-23-2)14-3-5-16(6-4-14)21-11-15-9-18-19(25-8-7-24-18)10-17(15)20(21)22;1-11(19(22)23)12-2-4-14(5-3-12)20-10-13-8-16-17(25-7-6-24-16)9-15(13)18(20)21;1-10(17(23)24)11-2-5-13(6-3-11)21-9-12-4-7-14(25-18(19)20)8-15(12)16(21)22;1-11(18(22)23)12-3-6-15(7-4-12)20-10-13-9-14(19-26(2,24)25)5-8-16(13)17(20)21;1-10(18(21)22)11-2-4-13(5-3-11)19-8-12-6-15-16(24-9-23-15)7-14(12)17(19)20;/h5-11,13,21H,12H2,1-4H3;4-11,14H,12H2,1-3H3,(H,24,25);2-10,12H,11H2,1H3,(H,26,27);3-6,9-10,13H,7-8,11-12H2,1-2H3;2-5,8-9,11H,6-7,10H2,1H3,(H,22,23);2-8,10,18H,9H2,1H3,(H,23,24);3-9,11,19H,10H2,1-2H3,(H,22,23);2-7,10H,8-9H2,1H3,(H,21,22);1H4/b;;9-8+;;;;;;
InChIKeyAAAHLHDGKYYJMY-WJLOSYDESA-N
XLogP29.58
TPSA541.82 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds33
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002856.01
LogP ≤ 529.58
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

Analyze tert-butyl 2-[4-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]phenyl]propanoate;2-[4-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;methane;2-[4-[6-(methanesulfonamido)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;7-[4-(1-methoxypropan-2-yl)phenyl]-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-6-one;2-[4-[5-(2-methylprop-1-enyl)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;2-[4-(6-oxo-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl)phenyl]propanoic acid;2-[4-(7-oxo-5H-[1,3]dioxolo[4,5-f]isoindol-6-yl)phenyl]propanoic acid;2-[4-[3-oxo-5-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-2-yl]phenyl]propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]phenyl]propanoate;2-[4-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;methane;2-[4-[6-(methanesulfonamido)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;7-[4-(1-methoxypropan-2-yl)phenyl]-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-6-one;2-[4-[5-(2-methylprop-1-enyl)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;2-[4-(6-oxo-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl)phenyl]propanoic acid;2-[4-(7-oxo-5H-[1,3]dioxolo[4,5-f]isoindol-6-yl)phenyl]propanoic acid;2-[4-[3-oxo-5-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-2-yl]phenyl]propanoic acid?
The IUPAC name of tert-butyl 2-[4-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]phenyl]propanoate;2-[4-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;methane;2-[4-[6-(methanesulfonamido)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;7-[4-(1-methoxypropan-2-yl)phenyl]-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-6-one;2-[4-[5-(2-methylprop-1-enyl)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;2-[4-(6-oxo-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl)phenyl]propanoic acid;2-[4-(7-oxo-5H-[1,3]dioxolo[4,5-f]isoindol-6-yl)phenyl]propanoic acid;2-[4-[3-oxo-5-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-2-yl]phenyl]propanoic acid (CID 157049434) is tert-butyl 2-[4-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]phenyl]propanoate;2-[4-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;methane;2-[4-[6-(methanesulfonamido)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;7-[4-(1-methoxypropan-2-yl)phenyl]-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-6-one;2-[4-[5-(2-methylprop-1-enyl)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;2-[4-(6-oxo-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl)phenyl]propanoic acid;2-[4-(7-oxo-5H-[1,3]dioxolo[4,5-f]isoindol-6-yl)phenyl]propanoic acid;2-[4-[3-oxo-5-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-2-yl]phenyl]propanoic acid.
What is the SMILES notation for tert-butyl 2-[4-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]phenyl]propanoate;2-[4-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;methane;2-[4-[6-(methanesulfonamido)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;7-[4-(1-methoxypropan-2-yl)phenyl]-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-6-one;2-[4-[5-(2-methylprop-1-enyl)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;2-[4-(6-oxo-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl)phenyl]propanoic acid;2-[4-(7-oxo-5H-[1,3]dioxolo[4,5-f]isoindol-6-yl)phenyl]propanoic acid;2-[4-[3-oxo-5-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-2-yl]phenyl]propanoic acid?
The canonical SMILES for tert-butyl 2-[4-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]phenyl]propanoate;2-[4-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;methane;2-[4-[6-(methanesulfonamido)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;7-[4-(1-methoxypropan-2-yl)phenyl]-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-6-one;2-[4-[5-(2-methylprop-1-enyl)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;2-[4-(6-oxo-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl)phenyl]propanoic acid;2-[4-(7-oxo-5H-[1,3]dioxolo[4,5-f]isoindol-6-yl)phenyl]propanoic acid;2-[4-[3-oxo-5-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-2-yl]phenyl]propanoic acid is C.CC(C(=O)O)c1ccc(N2Cc3cc(NS(C)(=O)=O)ccc3C2=O)cc1.CC(C(=O)O)c1ccc(N2Cc3cc4c(cc3C2=O)OCCO4)cc1.CC(C(=O)O)c1ccc(N2Cc3cc4c(cc3C2=O)OCO4)cc1.CC(C(=O)O)c1ccc(N2Cc3ccc(/C=C/C(F)(F)F)cc3C2=O)cc1.CC(C(=O)O)c1ccc(N2Cc3ccc(OC(F)F)cc3C2=O)cc1.CC(C(=O)OC(C)(C)C)c1ccc(N2Cc3ccc(OC(F)F)cc3C2=O)cc1.CC(C)=Cc1ccc2c(c1)C(=O)N(c1ccc(C(C)C(=O)O)cc1)C2.COCC(C)c1ccc(N2Cc3cc4c(cc3C2=O)OCCO4)cc1.
What is the InChIKey of tert-butyl 2-[4-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]phenyl]propanoate;2-[4-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;methane;2-[4-[6-(methanesulfonamido)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;7-[4-(1-methoxypropan-2-yl)phenyl]-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-6-one;2-[4-[5-(2-methylprop-1-enyl)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;2-[4-(6-oxo-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl)phenyl]propanoic acid;2-[4-(7-oxo-5H-[1,3]dioxolo[4,5-f]isoindol-6-yl)phenyl]propanoic acid;2-[4-[3-oxo-5-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-2-yl]phenyl]propanoic acid?
The InChIKey is AAAHLHDGKYYJMY-WJLOSYDESA-N. The full InChI is InChI=1S/C22H23F2NO4.C21H21NO3.C20H16F3NO3.C20H21NO4.C19H17NO5.C18H15F2NO4.C18H18N2O5S.C18H15NO5.CH4/c1-13(20(27)29-22(2,3)4)14-5-8-16(9-6-14)25-12-15-7-10-17(28-21(23)24)11-18(15)19(25)26;1-13(2)10-15-4-5-17-12-22(20(23)19(17)11-15)18-8-6-16(7-9-18)14(3)21(24)25;1-12(19(26)27)14-4-6-16(7-5-14)24-11-15-3-2-13(8-9-20(21,22)23)10-17(15)18(24)25;1-13(12-23-2)14-3-5-16(6-4-14)21-11-15-9-18-19(25-8-7-24-18)10-17(15)20(21)22;1-11(19(22)23)12-2-4-14(5-3-12)20-10-13-8-16-17(25-7-6-24-16)9-15(13)18(20)21;1-10(17(23)24)11-2-5-13(6-3-11)21-9-12-4-7-14(25-18(19)20)8-15(12)16(21)22;1-11(18(22)23)12-3-6-15(7-4-12)20-10-13-9-14(19-26(2,24)25)5-8-16(13)17(20)21;1-10(18(21)22)11-2-4-13(5-3-11)19-8-12-6-15-16(24-9-23-15)7-14(12)17(19)20;/h5-11,13,21H,12H2,1-4H3;4-11,14H,12H2,1-3H3,(H,24,25);2-10,12H,11H2,1H3,(H,26,27);3-6,9-10,13H,7-8,11-12H2,1-2H3;2-5,8-9,11H,6-7,10H2,1H3,(H,22,23);2-8,10,18H,9H2,1H3,(H,23,24);3-9,11,19H,10H2,1-2H3,(H,22,23);2-7,10H,8-9H2,1H3,(H,21,22);1H4/b;;9-8+;;;;;;.
What are the key properties of tert-butyl 2-[4-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]phenyl]propanoate;2-[4-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;methane;2-[4-[6-(methanesulfonamido)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;7-[4-(1-methoxypropan-2-yl)phenyl]-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-6-one;2-[4-[5-(2-methylprop-1-enyl)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;2-[4-(6-oxo-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl)phenyl]propanoic acid;2-[4-(7-oxo-5H-[1,3]dioxolo[4,5-f]isoindol-6-yl)phenyl]propanoic acid;2-[4-[3-oxo-5-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-2-yl]phenyl]propanoic acid?
tert-butyl 2-[4-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]phenyl]propanoate;2-[4-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;methane;2-[4-[6-(methanesulfonamido)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;7-[4-(1-methoxypropan-2-yl)phenyl]-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-6-one;2-[4-[5-(2-methylprop-1-enyl)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;2-[4-(6-oxo-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl)phenyl]propanoic acid;2-[4-(7-oxo-5H-[1,3]dioxolo[4,5-f]isoindol-6-yl)phenyl]propanoic acid;2-[4-[3-oxo-5-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-2-yl]phenyl]propanoic acid has a molecular weight of 2856.01 g/mol, XLogP of 29.58, 33 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]phenyl]propanoate;2-[4-[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;methane;2-[4-[6-(methanesulfonamido)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;7-[4-(1-methoxypropan-2-yl)phenyl]-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-6-one;2-[4-[5-(2-methylprop-1-enyl)-3-oxo-1H-isoindol-2-yl]phenyl]propanoic acid;2-[4-(6-oxo-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-7-yl)phenyl]propanoic acid;2-[4-(7-oxo-5H-[1,3]dioxolo[4,5-f]isoindol-6-yl)phenyl]propanoic acid;2-[4-[3-oxo-5-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-isoindol-2-yl]phenyl]propanoic acid is sourced from PubChem (CID 157049434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).