1,3-bis(phenylsulfanyl)propan-2-yl 2-(4-propan-2-ylphenyl)acetate;1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;phenyl 2-(4-propan-2-ylphenyl)acetate;S-phenyl 2-(4-propan-2-ylphenyl)ethanethioate;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate;(4-propan-2-ylphenyl) 4-(2-methylprop-2-enoyloxy)butanoate;(4-propan-2-ylphenyl) 4-prop-2-enoyloxybutanoate;3-(4-propan-2-ylphenyl)propyl 2-methylprop-2-enoate;3-(4-propan-2-ylphenyl)propyl prop-2-enoate

C287H373ClO46S7 — CID 159388391

IUPAC1,3-bis(phenylsulfanyl)propan-2-yl 2-(4-propan-2-ylphenyl)acetate;1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;phenyl 2-(4-propan-2-ylphenyl)acetate;S-phenyl 2-(4-propan-2-ylphenyl)ethanethioate;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate;(4-propan-2-ylphenyl) 4-(2-methylprop-2-enoyloxy)butanoate;(4-propan-2-ylphenyl) 4-prop-2-enoyloxybutanoate;3-(4-propan-2-ylphenyl)propyl 2-methylprop-2-enoate;3-(4-propan-2-ylphenyl)propyl prop-2-enoate
SMILESC=C(C)C(=O)OCCCC(=O)OCCOc1ccc(C(C)C)cc1.C=C(C)C(=O)OCCCC(=O)Oc1ccc(C(C)C)cc1.C=C(C)C(=O)OCCCc1ccc(C(C)C)cc1.C=C(C)C(=O)OCCOC(=O)Cc1ccc(C(C)C)cc1.C=CC(=O)OCCCC(=O)OCCOc1ccc(C(C)C)cc1.C=CC(=O)OCCCC(=O)Oc1ccc(C(C)C)cc1.C=CC(=O)OCCCc1ccc(C(C)C)cc1.C=CC(=O)OCCOC(=O)Cc1ccc(C(C)C)cc1.CC(C)OC(COc1ccc(C(C)C)cc1)CSC1=CCC=C1.CC(C)OC(COc1ccc(C(C)C)cc1)CSc1ccc(Cl)cc1.CC(C)OC(COc1ccc(C(C)C)cc1)CSc1ccccc1.CC(C)OCC(CSC1=CCC=C1)OC(C)C.CC(C)c1ccc(CC(=O)OC(CSc2ccccc2)CSc2ccccc2)cc1.CC(C)c1ccc(CC(=O)Oc2ccccc2)cc1.CC(C)c1ccc(CC(=O)Sc2ccccc2)cc1.CC(C)c1ccc(OCC(OCC2CO2)C(C)C)cc1
InChIInChI=1S/C26H28O2S2.C21H27ClO2S.C21H28O2S.C20H28O2S.C19H26O5.C18H24O5.2C17H22O4.C17H26O3.C17H18O2.C17H18OS.2C16H20O4.C16H22O2.C15H20O2.C14H24O2S/c1-20(2)22-15-13-21(14-16-22)17-26(27)28-23(18-29-24-9-5-3-6-10-24)19-30-25-11-7-4-8-12-25;1-15(2)17-5-9-19(10-6-17)23-13-20(24-16(3)4)14-25-21-11-7-18(22)8-12-21;1-16(2)18-10-12-19(13-11-18)22-14-20(23-17(3)4)15-24-21-8-6-5-7-9-21;1-15(2)17-9-11-18(12-10-17)21-13-19(22-16(3)4)14-23-20-7-5-6-8-20;1-14(2)16-7-9-17(10-8-16)22-12-13-23-18(20)6-5-11-24-19(21)15(3)4;1-4-17(19)22-11-5-6-18(20)23-13-12-21-16-9-7-15(8-10-16)14(2)3;1-12(2)15-7-5-14(6-8-15)11-16(18)20-9-10-21-17(19)13(3)4;1-12(2)14-7-9-15(10-8-14)21-16(18)6-5-11-20-17(19)13(3)4;1-12(2)14-5-7-15(8-6-14)19-11-17(13(3)4)20-10-16-9-18-16;2*1-13(2)15-10-8-14(9-11-15)12-17(18)19-16-6-4-3-5-7-16;1-4-15(17)19-9-10-20-16(18)11-13-5-7-14(8-6-13)12(2)3;1-4-15(17)19-11-5-6-16(18)20-14-9-7-13(8-10-14)12(2)3;1-12(2)15-9-7-14(8-10-15)6-5-11-18-16(17)13(3)4;1-4-15(16)17-11-5-6-13-7-9-14(10-8-13)12(2)3;1-11(2)15-9-13(16-12(3)4)10-17-14-7-5-6-8-14/h3-16,20,23H,17-19H2,1-2H3;5-12,15-16,20H,13-14H2,1-4H3;5-13,16-17,20H,14-15H2,1-4H3;5,7-12,15-16,19H,6,13-14H2,1-4H3;7-10,14H,3,5-6,11-13H2,1-2,4H3;4,7-10,14H,1,5-6,11-13H2,2-3H3;5-8,12H,3,9-11H2,1-2,4H3;7-10,12H,3,5-6,11H2,1-2,4H3;5-8,12-13,16-17H,9-11H2,1-4H3;2*3-11,13H,12H2,1-2H3;4-8,12H,1,9-11H2,2-3H3;4,7-10,12H,1,5-6,11H2,2-3H3;7-10,12H,3,5-6,11H2,1-2,4H3;4,7-10,12H,1,5-6,11H2,2-3H3;5,7-8,11-13H,6,9-10H2,1-4H3
InChIKeyLLUHABQKHCKVIC-UHFFFAOYSA-N
MW4819.02 g/mol
LogP67.34
Rot. Bonds121

About 1,3-bis(phenylsulfanyl)propan-2-yl 2-(4-propan-2-ylphenyl)acetate;1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;phenyl 2-(4-propan-2-ylphenyl)acetate;S-phenyl 2-(4-propan-2-ylphenyl)ethanethioate;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate;(4-propan-2-ylphenyl) 4-(2-methylprop-2-enoyloxy)butanoate;(4-propan-2-ylphenyl) 4-prop-2-enoyloxybutanoate;3-(4-propan-2-ylphenyl)propyl 2-methylprop-2-enoate;3-(4-propan-2-ylphenyl)propyl prop-2-enoate

1,3-bis(phenylsulfanyl)propan-2-yl 2-(4-propan-2-ylphenyl)acetate;1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;phenyl 2-(4-propan-2-ylphenyl)acetate;S-phenyl 2-(4-propan-2-ylphenyl)ethanethioate;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate;(4-propan-2-ylphenyl) 4-(2-methylprop-2-enoyloxy)butanoate;(4-propan-2-ylphenyl) 4-prop-2-enoyloxybutanoate;3-(4-propan-2-ylphenyl)propyl 2-methylprop-2-enoate;3-(4-propan-2-ylphenyl)propyl prop-2-enoate (PubChem CID 159388391) has the molecular formula C287H373ClO46S7 and a molecular weight of 4819.02 g/mol. Its IUPAC name is 1,3-bis(phenylsulfanyl)propan-2-yl 2-(4-propan-2-ylphenyl)acetate;1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;phenyl 2-(4-propan-2-ylphenyl)acetate;S-phenyl 2-(4-propan-2-ylphenyl)ethanethioate;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate;(4-propan-2-ylphenyl) 4-(2-methylprop-2-enoyloxy)butanoate;(4-propan-2-ylphenyl) 4-prop-2-enoyloxybutanoate;3-(4-propan-2-ylphenyl)propyl 2-methylprop-2-enoate;3-(4-propan-2-ylphenyl)propyl prop-2-enoate.

Molecular Properties

Compound Name1,3-bis(phenylsulfanyl)propan-2-yl 2-(4-propan-2-ylphenyl)acetate;1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;phenyl 2-(4-propan-2-ylphenyl)acetate;S-phenyl 2-(4-propan-2-ylphenyl)ethanethioate;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate;(4-propan-2-ylphenyl) 4-(2-methylprop-2-enoyloxy)butanoate;(4-propan-2-ylphenyl) 4-prop-2-enoyloxybutanoate;3-(4-propan-2-ylphenyl)propyl 2-methylprop-2-enoate;3-(4-propan-2-ylphenyl)propyl prop-2-enoate
PubChem CID159388391
Molecular FormulaC287H373ClO46S7
Molecular Weight4819.02 g/mol
Exact Mass4814.46
IUPAC Name1,3-bis(phenylsulfanyl)propan-2-yl 2-(4-propan-2-ylphenyl)acetate;1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;phenyl 2-(4-propan-2-ylphenyl)acetate;S-phenyl 2-(4-propan-2-ylphenyl)ethanethioate;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate;(4-propan-2-ylphenyl) 4-(2-methylprop-2-enoyloxy)butanoate;(4-propan-2-ylphenyl) 4-prop-2-enoyloxybutanoate;3-(4-propan-2-ylphenyl)propyl 2-methylprop-2-enoate;3-(4-propan-2-ylphenyl)propyl prop-2-enoate
SMILESC=C(C)C(=O)OCCCC(=O)OCCOc1ccc(C(C)C)cc1.C=C(C)C(=O)OCCCC(=O)Oc1ccc(C(C)C)cc1.C=C(C)C(=O)OCCCc1ccc(C(C)C)cc1.C=C(C)C(=O)OCCOC(=O)Cc1ccc(C(C)C)cc1.C=CC(=O)OCCCC(=O)OCCOc1ccc(C(C)C)cc1.C=CC(=O)OCCCC(=O)Oc1ccc(C(C)C)cc1.C=CC(=O)OCCCc1ccc(C(C)C)cc1.C=CC(=O)OCCOC(=O)Cc1ccc(C(C)C)cc1.CC(C)OC(COc1ccc(C(C)C)cc1)CSC1=CCC=C1.CC(C)OC(COc1ccc(C(C)C)cc1)CSc1ccc(Cl)cc1.CC(C)OC(COc1ccc(C(C)C)cc1)CSc1ccccc1.CC(C)OCC(CSC1=CCC=C1)OC(C)C.CC(C)c1ccc(CC(=O)OC(CSc2ccccc2)CSc2ccccc2)cc1.CC(C)c1ccc(CC(=O)Oc2ccccc2)cc1.CC(C)c1ccc(CC(=O)Sc2ccccc2)cc1.CC(C)c1ccc(OCC(OCC2CO2)C(C)C)cc1
InChIInChI=1S/C26H28O2S2.C21H27ClO2S.C21H28O2S.C20H28O2S.C19H26O5.C18H24O5.2C17H22O4.C17H26O3.C17H18O2.C17H18OS.2C16H20O4.C16H22O2.C15H20O2.C14H24O2S/c1-20(2)22-15-13-21(14-16-22)17-26(27)28-23(18-29-24-9-5-3-6-10-24)19-30-25-11-7-4-8-12-25;1-15(2)17-5-9-19(10-6-17)23-13-20(24-16(3)4)14-25-21-11-7-18(22)8-12-21;1-16(2)18-10-12-19(13-11-18)22-14-20(23-17(3)4)15-24-21-8-6-5-7-9-21;1-15(2)17-9-11-18(12-10-17)21-13-19(22-16(3)4)14-23-20-7-5-6-8-20;1-14(2)16-7-9-17(10-8-16)22-12-13-23-18(20)6-5-11-24-19(21)15(3)4;1-4-17(19)22-11-5-6-18(20)23-13-12-21-16-9-7-15(8-10-16)14(2)3;1-12(2)15-7-5-14(6-8-15)11-16(18)20-9-10-21-17(19)13(3)4;1-12(2)14-7-9-15(10-8-14)21-16(18)6-5-11-20-17(19)13(3)4;1-12(2)14-5-7-15(8-6-14)19-11-17(13(3)4)20-10-16-9-18-16;2*1-13(2)15-10-8-14(9-11-15)12-17(18)19-16-6-4-3-5-7-16;1-4-15(17)19-9-10-20-16(18)11-13-5-7-14(8-6-13)12(2)3;1-4-15(17)19-11-5-6-16(18)20-14-9-7-13(8-10-14)12(2)3;1-12(2)15-9-7-14(8-10-15)6-5-11-18-16(17)13(3)4;1-4-15(16)17-11-5-6-13-7-9-14(10-8-13)12(2)3;1-11(2)15-9-13(16-12(3)4)10-17-14-7-5-6-8-14/h3-16,20,23H,17-19H2,1-2H3;5-12,15-16,20H,13-14H2,1-4H3;5-13,16-17,20H,14-15H2,1-4H3;5,7-12,15-16,19H,6,13-14H2,1-4H3;7-10,14H,3,5-6,11-13H2,1-2,4H3;4,7-10,14H,1,5-6,11-13H2,2-3H3;5-8,12H,3,9-11H2,1-2,4H3;7-10,12H,3,5-6,11H2,1-2,4H3;5-8,12-13,16-17H,9-11H2,1-4H3;2*3-11,13H,12H2,1-2H3;4-8,12H,1,9-11H2,2-3H3;4,7-10,12H,1,5-6,11H2,2-3H3;7-10,12H,3,5-6,11H2,1-2,4H3;4,7-10,12H,1,5-6,11H2,2-3H3;5,7-8,11-13H,6,9-10H2,1-4H3
InChIKeyLLUHABQKHCKVIC-UHFFFAOYSA-N
XLogP67.34
TPSA561.16 Ų
H-Bond Donors
H-Bond Acceptors53
Rotatable Bonds121
Heavy Atoms341
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004819.02
LogP ≤ 567.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1053

Analyze 1,3-bis(phenylsulfanyl)propan-2-yl 2-(4-propan-2-ylphenyl)acetate;1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;phenyl 2-(4-propan-2-ylphenyl)acetate;S-phenyl 2-(4-propan-2-ylphenyl)ethanethioate;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate;(4-propan-2-ylphenyl) 4-(2-methylprop-2-enoyloxy)butanoate;(4-propan-2-ylphenyl) 4-prop-2-enoyloxybutanoate;3-(4-propan-2-ylphenyl)propyl 2-methylprop-2-enoate;3-(4-propan-2-ylphenyl)propyl prop-2-enoate with MolForge

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Related Compounds

1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate;(4-propan-2-ylphenyl) 4-(2-methylprop-2-enoyloxy)butanoate;(4-propan-2-ylphenyl) 4-prop-2-enoyloxybutanoate
CID 160858957
1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate
CID 158036769
1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylanilino)ethyl 2-methylprop-2-enoate;2-(4-propan-2-ylanilino)ethyl prop-2-enoate;2-[2-(4-propan-2-ylphenoxy)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenoxy)ethoxycarbonylamino]ethyl prop-2-enoate
CID 165109185
2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;(4-propan-2-ylphenyl) 4-(2-methylprop-2-enoyloxy)butanoate;(4-propan-2-ylphenyl) 4-prop-2-enoyloxybutanoate
CID 159256798
1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(cyclopropylmethoxy)-4-propan-2-ylbenzene;2-[[5-methyl-1-(4-propan-2-ylphenoxy)hexan-2-yl]oxymethyl]oxirane;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;3-(4-propan-2-ylphenyl)propyl 2-methylprop-2-enoate;3-(4-propan-2-ylphenyl)propyl prop-2-enoate
CID 157137987
4-methylpentyl 2-methylprop-2-enoate;4-methylpentyl prop-2-enoate;2-[(3-methyl-1-propan-2-yloxybutan-2-yl)oxymethyl]oxirane;2-methylpropyl 2-methylprop-2-enoate;2-methylpropyl prop-2-enoate;(1-phenylsulfanyl-3-propan-2-yloxypropan-2-yl) 4-prop-2-enoyloxybutanoate;2-propan-2-yloxyethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-propan-2-yloxyethyl 4-prop-2-enoyloxybutanoate
CID 164961909
[1-(4-chlorophenyl)sulfanyl-3-(4-propan-2-ylphenoxy)propan-2-yl] 4-(2-methylprop-2-enoyloxy)butanoate
CID 158968959
[1-phenylsulfanyl-3-[4-[9-[4-[3-phenylsulfanyl-2-(4-prop-2-enoyloxybutanoyloxy)propoxy]phenyl]fluoren-9-yl]phenoxy]propan-2-yl] 4-prop-2-enoyloxybutanoate
CID 159166043
1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene
CID 155280028
butyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate;styrene
CID 66750102
[1-(4-chlorophenoxy)-3-phenylsulfanylpropan-2-yl] prop-2-enoate
CID 58961721
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 6454134

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(phenylsulfanyl)propan-2-yl 2-(4-propan-2-ylphenyl)acetate;1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;phenyl 2-(4-propan-2-ylphenyl)acetate;S-phenyl 2-(4-propan-2-ylphenyl)ethanethioate;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate;(4-propan-2-ylphenyl) 4-(2-methylprop-2-enoyloxy)butanoate;(4-propan-2-ylphenyl) 4-prop-2-enoyloxybutanoate;3-(4-propan-2-ylphenyl)propyl 2-methylprop-2-enoate;3-(4-propan-2-ylphenyl)propyl prop-2-enoate?
The IUPAC name of 1,3-bis(phenylsulfanyl)propan-2-yl 2-(4-propan-2-ylphenyl)acetate;1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;phenyl 2-(4-propan-2-ylphenyl)acetate;S-phenyl 2-(4-propan-2-ylphenyl)ethanethioate;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate;(4-propan-2-ylphenyl) 4-(2-methylprop-2-enoyloxy)butanoate;(4-propan-2-ylphenyl) 4-prop-2-enoyloxybutanoate;3-(4-propan-2-ylphenyl)propyl 2-methylprop-2-enoate;3-(4-propan-2-ylphenyl)propyl prop-2-enoate (CID 159388391) is 1,3-bis(phenylsulfanyl)propan-2-yl 2-(4-propan-2-ylphenyl)acetate;1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;phenyl 2-(4-propan-2-ylphenyl)acetate;S-phenyl 2-(4-propan-2-ylphenyl)ethanethioate;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate;(4-propan-2-ylphenyl) 4-(2-methylprop-2-enoyloxy)butanoate;(4-propan-2-ylphenyl) 4-prop-2-enoyloxybutanoate;3-(4-propan-2-ylphenyl)propyl 2-methylprop-2-enoate;3-(4-propan-2-ylphenyl)propyl prop-2-enoate.
What is the SMILES notation for 1,3-bis(phenylsulfanyl)propan-2-yl 2-(4-propan-2-ylphenyl)acetate;1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;phenyl 2-(4-propan-2-ylphenyl)acetate;S-phenyl 2-(4-propan-2-ylphenyl)ethanethioate;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate;(4-propan-2-ylphenyl) 4-(2-methylprop-2-enoyloxy)butanoate;(4-propan-2-ylphenyl) 4-prop-2-enoyloxybutanoate;3-(4-propan-2-ylphenyl)propyl 2-methylprop-2-enoate;3-(4-propan-2-ylphenyl)propyl prop-2-enoate?
The canonical SMILES for 1,3-bis(phenylsulfanyl)propan-2-yl 2-(4-propan-2-ylphenyl)acetate;1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;phenyl 2-(4-propan-2-ylphenyl)acetate;S-phenyl 2-(4-propan-2-ylphenyl)ethanethioate;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate;(4-propan-2-ylphenyl) 4-(2-methylprop-2-enoyloxy)butanoate;(4-propan-2-ylphenyl) 4-prop-2-enoyloxybutanoate;3-(4-propan-2-ylphenyl)propyl 2-methylprop-2-enoate;3-(4-propan-2-ylphenyl)propyl prop-2-enoate is C=C(C)C(=O)OCCCC(=O)OCCOc1ccc(C(C)C)cc1.C=C(C)C(=O)OCCCC(=O)Oc1ccc(C(C)C)cc1.C=C(C)C(=O)OCCCc1ccc(C(C)C)cc1.C=C(C)C(=O)OCCOC(=O)Cc1ccc(C(C)C)cc1.C=CC(=O)OCCCC(=O)OCCOc1ccc(C(C)C)cc1.C=CC(=O)OCCCC(=O)Oc1ccc(C(C)C)cc1.C=CC(=O)OCCCc1ccc(C(C)C)cc1.C=CC(=O)OCCOC(=O)Cc1ccc(C(C)C)cc1.CC(C)OC(COc1ccc(C(C)C)cc1)CSC1=CCC=C1.CC(C)OC(COc1ccc(C(C)C)cc1)CSc1ccc(Cl)cc1.CC(C)OC(COc1ccc(C(C)C)cc1)CSc1ccccc1.CC(C)OCC(CSC1=CCC=C1)OC(C)C.CC(C)c1ccc(CC(=O)OC(CSc2ccccc2)CSc2ccccc2)cc1.CC(C)c1ccc(CC(=O)Oc2ccccc2)cc1.CC(C)c1ccc(CC(=O)Sc2ccccc2)cc1.CC(C)c1ccc(OCC(OCC2CO2)C(C)C)cc1.
What is the InChIKey of 1,3-bis(phenylsulfanyl)propan-2-yl 2-(4-propan-2-ylphenyl)acetate;1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;phenyl 2-(4-propan-2-ylphenyl)acetate;S-phenyl 2-(4-propan-2-ylphenyl)ethanethioate;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate;(4-propan-2-ylphenyl) 4-(2-methylprop-2-enoyloxy)butanoate;(4-propan-2-ylphenyl) 4-prop-2-enoyloxybutanoate;3-(4-propan-2-ylphenyl)propyl 2-methylprop-2-enoate;3-(4-propan-2-ylphenyl)propyl prop-2-enoate?
The InChIKey is LLUHABQKHCKVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O2S2.C21H27ClO2S.C21H28O2S.C20H28O2S.C19H26O5.C18H24O5.2C17H22O4.C17H26O3.C17H18O2.C17H18OS.2C16H20O4.C16H22O2.C15H20O2.C14H24O2S/c1-20(2)22-15-13-21(14-16-22)17-26(27)28-23(18-29-24-9-5-3-6-10-24)19-30-25-11-7-4-8-12-25;1-15(2)17-5-9-19(10-6-17)23-13-20(24-16(3)4)14-25-21-11-7-18(22)8-12-21;1-16(2)18-10-12-19(13-11-18)22-14-20(23-17(3)4)15-24-21-8-6-5-7-9-21;1-15(2)17-9-11-18(12-10-17)21-13-19(22-16(3)4)14-23-20-7-5-6-8-20;1-14(2)16-7-9-17(10-8-16)22-12-13-23-18(20)6-5-11-24-19(21)15(3)4;1-4-17(19)22-11-5-6-18(20)23-13-12-21-16-9-7-15(8-10-16)14(2)3;1-12(2)15-7-5-14(6-8-15)11-16(18)20-9-10-21-17(19)13(3)4;1-12(2)14-7-9-15(10-8-14)21-16(18)6-5-11-20-17(19)13(3)4;1-12(2)14-5-7-15(8-6-14)19-11-17(13(3)4)20-10-16-9-18-16;2*1-13(2)15-10-8-14(9-11-15)12-17(18)19-16-6-4-3-5-7-16;1-4-15(17)19-9-10-20-16(18)11-13-5-7-14(8-6-13)12(2)3;1-4-15(17)19-11-5-6-16(18)20-14-9-7-13(8-10-14)12(2)3;1-12(2)15-9-7-14(8-10-15)6-5-11-18-16(17)13(3)4;1-4-15(16)17-11-5-6-13-7-9-14(10-8-13)12(2)3;1-11(2)15-9-13(16-12(3)4)10-17-14-7-5-6-8-14/h3-16,20,23H,17-19H2,1-2H3;5-12,15-16,20H,13-14H2,1-4H3;5-13,16-17,20H,14-15H2,1-4H3;5,7-12,15-16,19H,6,13-14H2,1-4H3;7-10,14H,3,5-6,11-13H2,1-2,4H3;4,7-10,14H,1,5-6,11-13H2,2-3H3;5-8,12H,3,9-11H2,1-2,4H3;7-10,12H,3,5-6,11H2,1-2,4H3;5-8,12-13,16-17H,9-11H2,1-4H3;2*3-11,13H,12H2,1-2H3;4-8,12H,1,9-11H2,2-3H3;4,7-10,12H,1,5-6,11H2,2-3H3;7-10,12H,3,5-6,11H2,1-2,4H3;4,7-10,12H,1,5-6,11H2,2-3H3;5,7-8,11-13H,6,9-10H2,1-4H3.
What are the key properties of 1,3-bis(phenylsulfanyl)propan-2-yl 2-(4-propan-2-ylphenyl)acetate;1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;phenyl 2-(4-propan-2-ylphenyl)acetate;S-phenyl 2-(4-propan-2-ylphenyl)ethanethioate;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate;(4-propan-2-ylphenyl) 4-(2-methylprop-2-enoyloxy)butanoate;(4-propan-2-ylphenyl) 4-prop-2-enoyloxybutanoate;3-(4-propan-2-ylphenyl)propyl 2-methylprop-2-enoate;3-(4-propan-2-ylphenyl)propyl prop-2-enoate?
1,3-bis(phenylsulfanyl)propan-2-yl 2-(4-propan-2-ylphenyl)acetate;1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;phenyl 2-(4-propan-2-ylphenyl)acetate;S-phenyl 2-(4-propan-2-ylphenyl)ethanethioate;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate;(4-propan-2-ylphenyl) 4-(2-methylprop-2-enoyloxy)butanoate;(4-propan-2-ylphenyl) 4-prop-2-enoyloxybutanoate;3-(4-propan-2-ylphenyl)propyl 2-methylprop-2-enoate;3-(4-propan-2-ylphenyl)propyl prop-2-enoate has a molecular weight of 4819.02 g/mol, XLogP of 67.34, 121 rotatable bonds, 0 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(phenylsulfanyl)propan-2-yl 2-(4-propan-2-ylphenyl)acetate;1-chloro-4-[2-propan-2-yloxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene;1-(3-cyclopenta-1,4-dien-1-ylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-[2,3-di(propan-2-yloxy)propylsulfanyl]cyclopenta-1,3-diene;2-[[3-methyl-1-(4-propan-2-ylphenoxy)butan-2-yl]oxymethyl]oxirane;phenyl 2-(4-propan-2-ylphenyl)acetate;S-phenyl 2-(4-propan-2-ylphenyl)ethanethioate;1-(3-phenylsulfanyl-2-propan-2-yloxypropoxy)-4-propan-2-ylbenzene;2-(4-propan-2-ylphenoxy)ethyl 4-(2-methylprop-2-enoyloxy)butanoate;2-(4-propan-2-ylphenoxy)ethyl 4-prop-2-enoyloxybutanoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-(4-propan-2-ylphenyl)acetyl]oxyethyl prop-2-enoate;(4-propan-2-ylphenyl) 4-(2-methylprop-2-enoyloxy)butanoate;(4-propan-2-ylphenyl) 4-prop-2-enoyloxybutanoate;3-(4-propan-2-ylphenyl)propyl 2-methylprop-2-enoate;3-(4-propan-2-ylphenyl)propyl prop-2-enoate is sourced from PubChem (CID 159388391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).