(7-butoxy-3-fluoro-8-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(1,8-difluoro-6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[8-hydroxy-6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;6-[6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalen-2-yl]oxyhexyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)naphthalen-1-yl]phenoxy]methyl 2-methylprop-2-enoate;(7-methyl-6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[4-[(E)-2-(5-prop-2-enoyloxynaphthalen-1-yl)ethenyl]phenyl] prop-2-enoate;[4-(6-prop-2-enoyloxynaphthalen-2-yl)phenyl] prop-2-enoate;(6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;3-[4-(3-prop-2-enoyloxypropoxy)naphthalen-1-yl]oxypropyl prop-2-enoate;(3-prop-2-enoyloxyquinolin-7-yl) prop-2-enoate

C226H204F3NO53 — CID 162068144

IUPAC(7-butoxy-3-fluoro-8-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(1,8-difluoro-6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[8-hydroxy-6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;6-[6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalen-2-yl]oxyhexyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)naphthalen-1-yl]phenoxy]methyl 2-methylprop-2-enoate;(7-methyl-6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[4-[(E)-2-(5-prop-2-enoyloxynaphthalen-1-yl)ethenyl]phenyl] prop-2-enoate;[4-(6-prop-2-enoyloxynaphthalen-2-yl)phenyl] prop-2-enoate;(6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;3-[4-(3-prop-2-enoyloxypropoxy)naphthalen-1-yl]oxypropyl prop-2-enoate;(3-prop-2-enoyloxyquinolin-7-yl) prop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCOc1ccc2cc(OCCCCCCOC(=O)C(=C)C)ccc2c1.C=C(C)C(=O)OCOc1ccc(-c2ccc(OCOC(=O)C(=C)C)c3ccccc23)cc1.C=C(C)C(=O)Oc1cc(O)c2cc(OC(=O)C(=C)C)ccc2c1.C=CC(=O)OCCCOc1ccc(OCCCOC(=O)C=C)c2ccccc12.C=CC(=O)Oc1c(F)cc(OC(=O)C=C)c2c(O)c(OCCCC)ccc12.C=CC(=O)Oc1cc(F)c2c(F)c(OC(=O)C=C)ccc2c1.C=CC(=O)Oc1ccc(-c2ccc3cc(OC(=O)C=C)ccc3c2)cc1.C=CC(=O)Oc1ccc(/C=C/c2cccc3c(OC(=O)C=C)cccc23)cc1.C=CC(=O)Oc1ccc2cc(OC(=O)C=C)c(C)cc2c1.C=CC(=O)Oc1ccc2cc(OC(=O)C=C)ccc2c1.C=CC(=O)Oc1cnc2cc(OC(=O)C=C)ccc2c1
InChIInChI=1S/C30H40O6.C26H24O6.C24H18O4.C22H24O6.C22H16O4.C20H19FO6.C18H16O5.C17H14O4.C16H10F2O4.C16H12O4.C15H11NO4/c1-23(2)29(31)35-19-11-7-5-9-17-33-27-15-13-26-22-28(16-14-25(26)21-27)34-18-10-6-8-12-20-36-30(32)24(3)4;1-17(2)25(27)31-15-29-20-11-9-19(10-12-20)21-13-14-24(23-8-6-5-7-22(21)23)30-16-32-26(28)18(3)4;1-3-23(25)27-19-15-12-17(13-16-19)11-14-18-7-5-9-21-20(18)8-6-10-22(21)28-24(26)4-2;1-3-21(23)27-15-7-13-25-19-11-12-20(18-10-6-5-9-17(18)19)26-14-8-16-28-22(24)4-2;1-3-21(23)25-19-10-7-15(8-11-19)16-5-6-18-14-20(26-22(24)4-2)12-9-17(18)13-16;1-4-7-10-25-14-9-8-12-18(19(14)24)15(26-16(22)5-2)11-13(21)20(12)27-17(23)6-3;1-10(2)17(20)22-13-6-5-12-7-14(23-18(21)11(3)4)9-16(19)15(12)8-13;1-4-16(18)20-14-7-6-12-10-15(21-17(19)5-2)11(3)8-13(12)9-14;1-3-13(19)21-10-7-9-5-6-12(22-14(20)4-2)16(18)15(9)11(17)8-10;1-3-15(17)19-13-7-5-12-10-14(20-16(18)4-2)8-6-11(12)9-13;1-3-14(17)19-11-6-5-10-7-12(20-15(18)4-2)9-16-13(10)8-11/h13-16,21-22H,1,3,5-12,17-20H2,2,4H3;5-14H,1,3,15-16H2,2,4H3;3-16H,1-2H2;3-6,9-12H,1-2,7-8,13-16H2;3-14H,1-2H2;5-6,8-9,11,24H,2-4,7,10H2,1H3;5-9,19H,1,3H2,2,4H3;4-10H,1-2H2,3H3;3-8H,1-2H2;3-10H,1-2H2;3-9H,1-2H2/b;;14-11+;;;;;;;;
InChIKeyZASKXRHTBVHHNX-CBWWHFITSA-N
MW3839.07 g/mol
LogP45.72
Rot. Bonds78

About (7-butoxy-3-fluoro-8-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(1,8-difluoro-6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[8-hydroxy-6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;6-[6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalen-2-yl]oxyhexyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)naphthalen-1-yl]phenoxy]methyl 2-methylprop-2-enoate;(7-methyl-6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[4-[(E)-2-(5-prop-2-enoyloxynaphthalen-1-yl)ethenyl]phenyl] prop-2-enoate;[4-(6-prop-2-enoyloxynaphthalen-2-yl)phenyl] prop-2-enoate;(6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;3-[4-(3-prop-2-enoyloxypropoxy)naphthalen-1-yl]oxypropyl prop-2-enoate;(3-prop-2-enoyloxyquinolin-7-yl) prop-2-enoate

(7-butoxy-3-fluoro-8-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(1,8-difluoro-6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[8-hydroxy-6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;6-[6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalen-2-yl]oxyhexyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)naphthalen-1-yl]phenoxy]methyl 2-methylprop-2-enoate;(7-methyl-6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[4-[(E)-2-(5-prop-2-enoyloxynaphthalen-1-yl)ethenyl]phenyl] prop-2-enoate;[4-(6-prop-2-enoyloxynaphthalen-2-yl)phenyl] prop-2-enoate;(6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;3-[4-(3-prop-2-enoyloxypropoxy)naphthalen-1-yl]oxypropyl prop-2-enoate;(3-prop-2-enoyloxyquinolin-7-yl) prop-2-enoate (PubChem CID 162068144) has the molecular formula C226H204F3NO53 and a molecular weight of 3839.07 g/mol. Its IUPAC name is (7-butoxy-3-fluoro-8-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(1,8-difluoro-6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[8-hydroxy-6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;6-[6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalen-2-yl]oxyhexyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)naphthalen-1-yl]phenoxy]methyl 2-methylprop-2-enoate;(7-methyl-6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[4-[(E)-2-(5-prop-2-enoyloxynaphthalen-1-yl)ethenyl]phenyl] prop-2-enoate;[4-(6-prop-2-enoyloxynaphthalen-2-yl)phenyl] prop-2-enoate;(6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;3-[4-(3-prop-2-enoyloxypropoxy)naphthalen-1-yl]oxypropyl prop-2-enoate;(3-prop-2-enoyloxyquinolin-7-yl) prop-2-enoate.

Molecular Properties

Compound Name(7-butoxy-3-fluoro-8-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(1,8-difluoro-6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[8-hydroxy-6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;6-[6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalen-2-yl]oxyhexyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)naphthalen-1-yl]phenoxy]methyl 2-methylprop-2-enoate;(7-methyl-6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[4-[(E)-2-(5-prop-2-enoyloxynaphthalen-1-yl)ethenyl]phenyl] prop-2-enoate;[4-(6-prop-2-enoyloxynaphthalen-2-yl)phenyl] prop-2-enoate;(6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;3-[4-(3-prop-2-enoyloxypropoxy)naphthalen-1-yl]oxypropyl prop-2-enoate;(3-prop-2-enoyloxyquinolin-7-yl) prop-2-enoate
PubChem CID162068144
Molecular FormulaC226H204F3NO53
Molecular Weight3839.07 g/mol
Exact Mass3836.33
IUPAC Name(7-butoxy-3-fluoro-8-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(1,8-difluoro-6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[8-hydroxy-6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;6-[6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalen-2-yl]oxyhexyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)naphthalen-1-yl]phenoxy]methyl 2-methylprop-2-enoate;(7-methyl-6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[4-[(E)-2-(5-prop-2-enoyloxynaphthalen-1-yl)ethenyl]phenyl] prop-2-enoate;[4-(6-prop-2-enoyloxynaphthalen-2-yl)phenyl] prop-2-enoate;(6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;3-[4-(3-prop-2-enoyloxypropoxy)naphthalen-1-yl]oxypropyl prop-2-enoate;(3-prop-2-enoyloxyquinolin-7-yl) prop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCOc1ccc2cc(OCCCCCCOC(=O)C(=C)C)ccc2c1.C=C(C)C(=O)OCOc1ccc(-c2ccc(OCOC(=O)C(=C)C)c3ccccc23)cc1.C=C(C)C(=O)Oc1cc(O)c2cc(OC(=O)C(=C)C)ccc2c1.C=CC(=O)OCCCOc1ccc(OCCCOC(=O)C=C)c2ccccc12.C=CC(=O)Oc1c(F)cc(OC(=O)C=C)c2c(O)c(OCCCC)ccc12.C=CC(=O)Oc1cc(F)c2c(F)c(OC(=O)C=C)ccc2c1.C=CC(=O)Oc1ccc(-c2ccc3cc(OC(=O)C=C)ccc3c2)cc1.C=CC(=O)Oc1ccc(/C=C/c2cccc3c(OC(=O)C=C)cccc23)cc1.C=CC(=O)Oc1ccc2cc(OC(=O)C=C)c(C)cc2c1.C=CC(=O)Oc1ccc2cc(OC(=O)C=C)ccc2c1.C=CC(=O)Oc1cnc2cc(OC(=O)C=C)ccc2c1
InChIInChI=1S/C30H40O6.C26H24O6.C24H18O4.C22H24O6.C22H16O4.C20H19FO6.C18H16O5.C17H14O4.C16H10F2O4.C16H12O4.C15H11NO4/c1-23(2)29(31)35-19-11-7-5-9-17-33-27-15-13-26-22-28(16-14-25(26)21-27)34-18-10-6-8-12-20-36-30(32)24(3)4;1-17(2)25(27)31-15-29-20-11-9-19(10-12-20)21-13-14-24(23-8-6-5-7-22(21)23)30-16-32-26(28)18(3)4;1-3-23(25)27-19-15-12-17(13-16-19)11-14-18-7-5-9-21-20(18)8-6-10-22(21)28-24(26)4-2;1-3-21(23)27-15-7-13-25-19-11-12-20(18-10-6-5-9-17(18)19)26-14-8-16-28-22(24)4-2;1-3-21(23)25-19-10-7-15(8-11-19)16-5-6-18-14-20(26-22(24)4-2)12-9-17(18)13-16;1-4-7-10-25-14-9-8-12-18(19(14)24)15(26-16(22)5-2)11-13(21)20(12)27-17(23)6-3;1-10(2)17(20)22-13-6-5-12-7-14(23-18(21)11(3)4)9-16(19)15(12)8-13;1-4-16(18)20-14-7-6-12-10-15(21-17(19)5-2)11(3)8-13(12)9-14;1-3-13(19)21-10-7-9-5-6-12(22-14(20)4-2)16(18)15(9)11(17)8-10;1-3-15(17)19-13-7-5-12-10-14(20-16(18)4-2)8-6-11(12)9-13;1-3-14(17)19-11-6-5-10-7-12(20-15(18)4-2)9-16-13(10)8-11/h13-16,21-22H,1,3,5-12,17-20H2,2,4H3;5-14H,1,3,15-16H2,2,4H3;3-16H,1-2H2;3-6,9-12H,1-2,7-8,13-16H2;3-14H,1-2H2;5-6,8-9,11,24H,2-4,7,10H2,1H3;5-9,19H,1,3H2,2,4H3;4-10H,1-2H2,3H3;3-8H,1-2H2;3-10H,1-2H2;3-9H,1-2H2/b;;14-11+;;;;;;;;
InChIKeyZASKXRHTBVHHNX-CBWWHFITSA-N
XLogP45.72
TPSA696.56 Ų
H-Bond Donors2
H-Bond Acceptors54
Rotatable Bonds78
Heavy Atoms283
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003839.07
LogP ≤ 545.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (7-butoxy-3-fluoro-8-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(1,8-difluoro-6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[8-hydroxy-6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;6-[6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalen-2-yl]oxyhexyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)naphthalen-1-yl]phenoxy]methyl 2-methylprop-2-enoate;(7-methyl-6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[4-[(E)-2-(5-prop-2-enoyloxynaphthalen-1-yl)ethenyl]phenyl] prop-2-enoate;[4-(6-prop-2-enoyloxynaphthalen-2-yl)phenyl] prop-2-enoate;(6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;3-[4-(3-prop-2-enoyloxypropoxy)naphthalen-1-yl]oxypropyl prop-2-enoate;(3-prop-2-enoyloxyquinolin-7-yl) prop-2-enoate with MolForge

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Related Compounds

2-[4-[(2,4-Dimethylphenyl)methoxy]-3-hydroxyphenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;5-[2-(hydroxymethyl)-4-(4-hydroxyphenyl)-3,6-dimethoxyphenyl]-2-(4-methylpent-3-enyl)phenol;2-[3-hydroxy-4-(naphthalen-2-ylmethoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]phenyl]-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-(quinolin-2-ylmethoxy)phenyl]-3,6-dimethoxyphenol;5-(4-hydroxyphenyl)-2-[3-hydroxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,6-dimethoxyphenol
CID 158624845
1-[(3,4-Diethoxyphenyl)methyl]-6,7-diethoxyisoquinoline;6-hydroxy-7-(3-methylbut-2-enoxy)chromen-2-one;hydrochloride
CID 117595023
CID 157283093
CID 157283093
[2-[2-(cyclohexanecarbonyloxy)-6-hydroxyphenyl]-3-hydroxyphenyl] cyclohexanecarboxylate;6-ethyl-1-(6-ethyl-2-hydroxy-4-methylnaphthalen-1-yl)-5-methyl-4-phenylnaphthalen-2-ol;5-(6-hydroxy-3,4-dihydro-2H-chromen-5-yl)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-ol;2-(3-hydroxy-1-methylnaphthalen-2-yl)-3-methylnaphthalen-1-ol;2-(2-hydroxy-6-methylphenyl)-3-methylphenol;2-(2-hydroxy-6-phenylphenyl)-3-phenylphenol;2-(2-hydroxy-6-propan-2-ylphenyl)-3-propan-2-ylphenol;8-(6-hydroxyquinolin-5-yl)quinolin-7-ol
CID 157654564
(2S)-2-amino-4-[[6-[(3-methylphenyl)methoxy]-1,3-benzodioxol-5-yl]methyl-[[2-[(3-methylphenyl)methoxy]phenyl]methyl]amino]butanoic acid;(2S)-2-amino-4-[[5-[(3-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-6-yl]methyl-[[2-[(3-methylphenyl)methoxy]phenyl]methyl]amino]butanoic acid;(2S)-2-amino-4-[[2-[(3-methylphenyl)methoxy]phenyl]methyl-[[7-[(3-methylphenyl)methoxy]quinolin-8-yl]methyl]amino]butanoic acid
CID 159078574
1-(6-ethenyl-2-hydroxy-4-methylnaphthalen-1-yl)-6-ethyl-5-methyl-4-phenylnaphthalen-2-ol;5-(6-hydroxy-8-methyl-3,4-dihydro-2H-chromen-5-yl)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-ol;2-(3-hydroxy-1-methylnaphthalen-2-yl)-3-methylnaphthalen-1-ol;2-(2-hydroxy-6-methylphenyl)-3-methylphenol;4-(6-hydroxyquinolin-5-yl)quinolin-3-ol
CID 159255729
[6-(diethylamino)-9-[2-[10-(2,5-dihydroxy-3,4-dimethylphenyl)decoxycarbonyl]phenyl]-2,7-dimethylxanthen-3-ylidene]-diethylazanium;10-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)decyl-triphenylphosphanium;10-(2,5-dihydroxy-3,4-dimethylphenyl)decyl 2-[(6Z)-2,7-dimethyl-3-propyl-6-propylidenexanthen-9-yl]benzoate;10-(2,5-dihydroxy-3,4-dimethylphenyl)decyl-triphenylphosphanium;5-(2,5-dihydroxy-3,4-dimethylphenyl)pentyl-triphenylphosphanium;10-(2,5-dihydroxy-3,4,6-trimethylphenyl)decyl-triphenylphosphanium;5-[10-(16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-12-yl)decyl]-2,3-dimethylcyclohexa-2,5-diene-1,4-dione
CID 159951579
6-(6,7-Dimethoxyquinolin-4-yl)oxy-5-fluoronaphthalene-1-carboxylic acid;5-fluoro-6-hydroxynaphthalene-1-carboxylic acid
CID 159970212
2-[(6,7-Dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyaniline;5,7-dimethoxy-4-[3-(4-methylphenyl)phenyl]chromen-2-one
CID 167655288
(Z)-1-[5-methoxy-2-(methoxymethoxy)-4-phenylmethoxyphenyl]-2-(7-methoxy-6-phenylmethoxyisoquinolin-1-yl)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenol
CID 135504789

Frequently Asked Questions

What is the IUPAC name of (7-butoxy-3-fluoro-8-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(1,8-difluoro-6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[8-hydroxy-6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;6-[6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalen-2-yl]oxyhexyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)naphthalen-1-yl]phenoxy]methyl 2-methylprop-2-enoate;(7-methyl-6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[4-[(E)-2-(5-prop-2-enoyloxynaphthalen-1-yl)ethenyl]phenyl] prop-2-enoate;[4-(6-prop-2-enoyloxynaphthalen-2-yl)phenyl] prop-2-enoate;(6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;3-[4-(3-prop-2-enoyloxypropoxy)naphthalen-1-yl]oxypropyl prop-2-enoate;(3-prop-2-enoyloxyquinolin-7-yl) prop-2-enoate?
The IUPAC name of (7-butoxy-3-fluoro-8-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(1,8-difluoro-6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[8-hydroxy-6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;6-[6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalen-2-yl]oxyhexyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)naphthalen-1-yl]phenoxy]methyl 2-methylprop-2-enoate;(7-methyl-6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[4-[(E)-2-(5-prop-2-enoyloxynaphthalen-1-yl)ethenyl]phenyl] prop-2-enoate;[4-(6-prop-2-enoyloxynaphthalen-2-yl)phenyl] prop-2-enoate;(6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;3-[4-(3-prop-2-enoyloxypropoxy)naphthalen-1-yl]oxypropyl prop-2-enoate;(3-prop-2-enoyloxyquinolin-7-yl) prop-2-enoate (CID 162068144) is (7-butoxy-3-fluoro-8-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(1,8-difluoro-6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[8-hydroxy-6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;6-[6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalen-2-yl]oxyhexyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)naphthalen-1-yl]phenoxy]methyl 2-methylprop-2-enoate;(7-methyl-6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[4-[(E)-2-(5-prop-2-enoyloxynaphthalen-1-yl)ethenyl]phenyl] prop-2-enoate;[4-(6-prop-2-enoyloxynaphthalen-2-yl)phenyl] prop-2-enoate;(6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;3-[4-(3-prop-2-enoyloxypropoxy)naphthalen-1-yl]oxypropyl prop-2-enoate;(3-prop-2-enoyloxyquinolin-7-yl) prop-2-enoate.
What is the SMILES notation for (7-butoxy-3-fluoro-8-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(1,8-difluoro-6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[8-hydroxy-6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;6-[6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalen-2-yl]oxyhexyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)naphthalen-1-yl]phenoxy]methyl 2-methylprop-2-enoate;(7-methyl-6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[4-[(E)-2-(5-prop-2-enoyloxynaphthalen-1-yl)ethenyl]phenyl] prop-2-enoate;[4-(6-prop-2-enoyloxynaphthalen-2-yl)phenyl] prop-2-enoate;(6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;3-[4-(3-prop-2-enoyloxypropoxy)naphthalen-1-yl]oxypropyl prop-2-enoate;(3-prop-2-enoyloxyquinolin-7-yl) prop-2-enoate?
The canonical SMILES for (7-butoxy-3-fluoro-8-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(1,8-difluoro-6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[8-hydroxy-6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;6-[6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalen-2-yl]oxyhexyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)naphthalen-1-yl]phenoxy]methyl 2-methylprop-2-enoate;(7-methyl-6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[4-[(E)-2-(5-prop-2-enoyloxynaphthalen-1-yl)ethenyl]phenyl] prop-2-enoate;[4-(6-prop-2-enoyloxynaphthalen-2-yl)phenyl] prop-2-enoate;(6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;3-[4-(3-prop-2-enoyloxypropoxy)naphthalen-1-yl]oxypropyl prop-2-enoate;(3-prop-2-enoyloxyquinolin-7-yl) prop-2-enoate is C=C(C)C(=O)OCCCCCCOc1ccc2cc(OCCCCCCOC(=O)C(=C)C)ccc2c1.C=C(C)C(=O)OCOc1ccc(-c2ccc(OCOC(=O)C(=C)C)c3ccccc23)cc1.C=C(C)C(=O)Oc1cc(O)c2cc(OC(=O)C(=C)C)ccc2c1.C=CC(=O)OCCCOc1ccc(OCCCOC(=O)C=C)c2ccccc12.C=CC(=O)Oc1c(F)cc(OC(=O)C=C)c2c(O)c(OCCCC)ccc12.C=CC(=O)Oc1cc(F)c2c(F)c(OC(=O)C=C)ccc2c1.C=CC(=O)Oc1ccc(-c2ccc3cc(OC(=O)C=C)ccc3c2)cc1.C=CC(=O)Oc1ccc(/C=C/c2cccc3c(OC(=O)C=C)cccc23)cc1.C=CC(=O)Oc1ccc2cc(OC(=O)C=C)c(C)cc2c1.C=CC(=O)Oc1ccc2cc(OC(=O)C=C)ccc2c1.C=CC(=O)Oc1cnc2cc(OC(=O)C=C)ccc2c1.
What is the InChIKey of (7-butoxy-3-fluoro-8-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(1,8-difluoro-6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[8-hydroxy-6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;6-[6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalen-2-yl]oxyhexyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)naphthalen-1-yl]phenoxy]methyl 2-methylprop-2-enoate;(7-methyl-6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[4-[(E)-2-(5-prop-2-enoyloxynaphthalen-1-yl)ethenyl]phenyl] prop-2-enoate;[4-(6-prop-2-enoyloxynaphthalen-2-yl)phenyl] prop-2-enoate;(6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;3-[4-(3-prop-2-enoyloxypropoxy)naphthalen-1-yl]oxypropyl prop-2-enoate;(3-prop-2-enoyloxyquinolin-7-yl) prop-2-enoate?
The InChIKey is ZASKXRHTBVHHNX-CBWWHFITSA-N. The full InChI is InChI=1S/C30H40O6.C26H24O6.C24H18O4.C22H24O6.C22H16O4.C20H19FO6.C18H16O5.C17H14O4.C16H10F2O4.C16H12O4.C15H11NO4/c1-23(2)29(31)35-19-11-7-5-9-17-33-27-15-13-26-22-28(16-14-25(26)21-27)34-18-10-6-8-12-20-36-30(32)24(3)4;1-17(2)25(27)31-15-29-20-11-9-19(10-12-20)21-13-14-24(23-8-6-5-7-22(21)23)30-16-32-26(28)18(3)4;1-3-23(25)27-19-15-12-17(13-16-19)11-14-18-7-5-9-21-20(18)8-6-10-22(21)28-24(26)4-2;1-3-21(23)27-15-7-13-25-19-11-12-20(18-10-6-5-9-17(18)19)26-14-8-16-28-22(24)4-2;1-3-21(23)25-19-10-7-15(8-11-19)16-5-6-18-14-20(26-22(24)4-2)12-9-17(18)13-16;1-4-7-10-25-14-9-8-12-18(19(14)24)15(26-16(22)5-2)11-13(21)20(12)27-17(23)6-3;1-10(2)17(20)22-13-6-5-12-7-14(23-18(21)11(3)4)9-16(19)15(12)8-13;1-4-16(18)20-14-7-6-12-10-15(21-17(19)5-2)11(3)8-13(12)9-14;1-3-13(19)21-10-7-9-5-6-12(22-14(20)4-2)16(18)15(9)11(17)8-10;1-3-15(17)19-13-7-5-12-10-14(20-16(18)4-2)8-6-11(12)9-13;1-3-14(17)19-11-6-5-10-7-12(20-15(18)4-2)9-16-13(10)8-11/h13-16,21-22H,1,3,5-12,17-20H2,2,4H3;5-14H,1,3,15-16H2,2,4H3;3-16H,1-2H2;3-6,9-12H,1-2,7-8,13-16H2;3-14H,1-2H2;5-6,8-9,11,24H,2-4,7,10H2,1H3;5-9,19H,1,3H2,2,4H3;4-10H,1-2H2,3H3;3-8H,1-2H2;3-10H,1-2H2;3-9H,1-2H2/b;;14-11+;;;;;;;;.
What are the key properties of (7-butoxy-3-fluoro-8-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(1,8-difluoro-6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[8-hydroxy-6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;6-[6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalen-2-yl]oxyhexyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)naphthalen-1-yl]phenoxy]methyl 2-methylprop-2-enoate;(7-methyl-6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[4-[(E)-2-(5-prop-2-enoyloxynaphthalen-1-yl)ethenyl]phenyl] prop-2-enoate;[4-(6-prop-2-enoyloxynaphthalen-2-yl)phenyl] prop-2-enoate;(6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;3-[4-(3-prop-2-enoyloxypropoxy)naphthalen-1-yl]oxypropyl prop-2-enoate;(3-prop-2-enoyloxyquinolin-7-yl) prop-2-enoate?
(7-butoxy-3-fluoro-8-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(1,8-difluoro-6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[8-hydroxy-6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;6-[6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalen-2-yl]oxyhexyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)naphthalen-1-yl]phenoxy]methyl 2-methylprop-2-enoate;(7-methyl-6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[4-[(E)-2-(5-prop-2-enoyloxynaphthalen-1-yl)ethenyl]phenyl] prop-2-enoate;[4-(6-prop-2-enoyloxynaphthalen-2-yl)phenyl] prop-2-enoate;(6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;3-[4-(3-prop-2-enoyloxypropoxy)naphthalen-1-yl]oxypropyl prop-2-enoate;(3-prop-2-enoyloxyquinolin-7-yl) prop-2-enoate has a molecular weight of 3839.07 g/mol, XLogP of 45.72, 78 rotatable bonds, 2 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for (7-butoxy-3-fluoro-8-hydroxy-4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate;(1,8-difluoro-6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[8-hydroxy-6-(2-methylprop-2-enoyloxy)naphthalen-2-yl] 2-methylprop-2-enoate;6-[6-[6-(2-methylprop-2-enoyloxy)hexoxy]naphthalen-2-yl]oxyhexyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxymethoxy)naphthalen-1-yl]phenoxy]methyl 2-methylprop-2-enoate;(7-methyl-6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;[4-[(E)-2-(5-prop-2-enoyloxynaphthalen-1-yl)ethenyl]phenyl] prop-2-enoate;[4-(6-prop-2-enoyloxynaphthalen-2-yl)phenyl] prop-2-enoate;(6-prop-2-enoyloxynaphthalen-2-yl) prop-2-enoate;3-[4-(3-prop-2-enoyloxypropoxy)naphthalen-1-yl]oxypropyl prop-2-enoate;(3-prop-2-enoyloxyquinolin-7-yl) prop-2-enoate is sourced from PubChem (CID 162068144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).