3-butoxy-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclobutylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopentylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopropylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;4,6-difluoro-3,7-bis(4-methylpentoxy)dibenzothiophene;4,6-difluoro-3-[(2S)-2-methylbutoxy]-7-(3-methylbutoxy)dibenzothiophene;4,6-difluoro-3-(3-methylbutoxy)-7-(4-methylpentoxy)dibenzothiophene;3-(2,4-dimethylpentoxy)-7-ethoxy-4,6-difluorodibenzothiophene;2-[(7-ethoxy-4,6-difluorodibenzothiophen-3-yl)oxymethyl]oxolane;3-ethoxy-4,6-difluoro-7-hexoxydibenzothiophene;3-ethoxy-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-ethoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene;bis(3-ethoxy-4,6-difluoro-7-pentoxydibenzothiophene);3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene

C334H368F32O33S16 — CID 164979360

IUPAC3-butoxy-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclobutylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopentylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopropylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;4,6-difluoro-3,7-bis(4-methylpentoxy)dibenzothiophene;4,6-difluoro-3-[(2S)-2-methylbutoxy]-7-(3-methylbutoxy)dibenzothiophene;4,6-difluoro-3-(3-methylbutoxy)-7-(4-methylpentoxy)dibenzothiophene;3-(2,4-dimethylpentoxy)-7-ethoxy-4,6-difluorodibenzothiophene;2-[(7-ethoxy-4,6-difluorodibenzothiophen-3-yl)oxymethyl]oxolane;3-ethoxy-4,6-difluoro-7-hexoxydibenzothiophene;3-ethoxy-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-ethoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene;bis(3-ethoxy-4,6-difluoro-7-pentoxydibenzothiophene);3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene
SMILESCC(C)CCCOc1ccc2c(sc3c(F)c(OCCC(C)C)ccc32)c1F.CC(C)CCCOc1ccc2c(sc3c(F)c(OCCCC(C)C)ccc32)c1F.CCC1CCC(COc2ccc3c(sc4c(F)c(OCCC(C)C)ccc43)c2F)CC1.CCC1CCC(COc2ccc3c(sc4c(F)c(OCCCC(C)C)ccc43)c2F)CC1.CCCCCCOc1ccc2c(sc3c(F)c(OCC)ccc32)c1F.CCCCCOc1ccc2c(sc3c(F)c(OCC)ccc32)c1F.CCCCCOc1ccc2c(sc3c(F)c(OCC)ccc32)c1F.CCCCOc1ccc2c(sc3c(F)c(OCC)ccc32)c1F.CCOc1ccc2c(sc3c(F)c(OCC(C)CC(C)C)ccc32)c1F.CCOc1ccc2c(sc3c(F)c(OCC4CC4)ccc32)c1F.CCOc1ccc2c(sc3c(F)c(OCC4CCC4)ccc32)c1F.CCOc1ccc2c(sc3c(F)c(OCC4CCCC4)ccc32)c1F.CCOc1ccc2c(sc3c(F)c(OCC4CCCO4)ccc32)c1F.CCOc1ccc2c(sc3c(F)c(OCCC(C)C)ccc32)c1F.CCOc1ccc2c(sc3c(F)c(OCCCC(C)C)ccc32)c1F.CC[C@H](C)COc1ccc2c(sc3c(F)c(OCCC(C)C)ccc32)c1F
InChIInChI=1S/C27H34F2O2S.C26H32F2O2S.C24H30F2O2S.C23H28F2O2S.C22H26F2O2S.C21H24F2O2S.C20H20F2O2S.2C20H22F2O2S.C19H18F2O3S.C19H18F2O2S.3C19H20F2O2S.C18H16F2O2S.C18H18F2O2S/c1-4-18-7-9-19(10-8-18)16-31-23-14-12-21-20-11-13-22(30-15-5-6-17(2)3)24(28)26(20)32-27(21)25(23)29;1-4-17-5-7-18(8-6-17)15-30-22-12-10-20-19-9-11-21(29-14-13-16(2)3)23(27)25(19)31-26(20)24(22)28;1-15(2)7-5-13-27-19-11-9-17-18-10-12-20(28-14-6-8-16(3)4)22(26)24(18)29-23(17)21(19)25;1-14(2)6-5-12-26-18-9-7-16-17-8-10-19(27-13-11-15(3)4)21(25)23(17)28-22(16)20(18)24;1-5-14(4)12-26-18-9-7-16-15-6-8-17(25-11-10-13(2)3)19(23)21(15)27-22(16)20(18)24;1-5-24-16-8-6-14-15-7-9-17(25-11-13(4)10-12(2)3)19(23)21(15)26-20(14)18(16)22;1-2-23-15-9-7-13-14-8-10-16(24-11-12-5-3-4-6-12)18(22)20(14)25-19(13)17(15)21;1-4-23-15-9-7-13-14-8-10-16(24-11-5-6-12(2)3)18(22)20(14)25-19(13)17(15)21;1-3-5-6-7-12-24-16-11-9-14-13-8-10-15(23-4-2)17(21)19(13)25-20(14)18(16)22;1-2-22-14-7-5-12-13-6-8-15(24-10-11-4-3-9-23-11)17(21)19(13)25-18(12)16(14)20;1-2-22-14-8-6-12-13-7-9-15(23-10-11-4-3-5-11)17(21)19(13)24-18(12)16(14)20;1-4-22-14-7-5-12-13-6-8-15(23-10-9-11(2)3)17(21)19(13)24-18(12)16(14)20;2*1-3-5-6-11-23-15-10-8-13-12-7-9-14(22-4-2)16(20)18(12)24-19(13)17(15)21;1-2-21-13-7-5-11-12-6-8-14(22-9-10-3-4-10)16(20)18(12)23-17(11)15(13)19;1-3-5-10-22-14-9-7-12-11-6-8-13(21-4-2)15(19)17(11)23-18(12)16(14)20/h11-14,17-19H,4-10,15-16H2,1-3H3;9-12,16-18H,4-8,13-15H2,1-3H3;9-12,15-16H,5-8,13-14H2,1-4H3;7-10,14-15H,5-6,11-13H2,1-4H3;6-9,13-14H,5,10-12H2,1-4H3;6-9,12-13H,5,10-11H2,1-4H3;7-10,12H,2-6,11H2,1H3;7-10,12H,4-6,11H2,1-3H3;8-11H,3-7,12H2,1-2H3;5-8,11H,2-4,9-10H2,1H3;6-9,11H,2-5,10H2,1H3;5-8,11H,4,9-10H2,1-3H3;2*7-10H,3-6,11H2,1-2H3;5-8,10H,2-4,9H2,1H3;6-9H,3-5,10H2,1-2H3/t;;;;14-;;;;;;;;;;;/m....0.........../s1
InChIKeyFGCWGNRLMFESAR-RRZOPDRFSA-N
MW6031.59 g/mol
LogP107.53
Rot. Bonds112

About 3-butoxy-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclobutylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopentylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopropylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;4,6-difluoro-3,7-bis(4-methylpentoxy)dibenzothiophene;4,6-difluoro-3-[(2S)-2-methylbutoxy]-7-(3-methylbutoxy)dibenzothiophene;4,6-difluoro-3-(3-methylbutoxy)-7-(4-methylpentoxy)dibenzothiophene;3-(2,4-dimethylpentoxy)-7-ethoxy-4,6-difluorodibenzothiophene;2-[(7-ethoxy-4,6-difluorodibenzothiophen-3-yl)oxymethyl]oxolane;3-ethoxy-4,6-difluoro-7-hexoxydibenzothiophene;3-ethoxy-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-ethoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene;bis(3-ethoxy-4,6-difluoro-7-pentoxydibenzothiophene);3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene

3-butoxy-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclobutylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopentylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopropylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;4,6-difluoro-3,7-bis(4-methylpentoxy)dibenzothiophene;4,6-difluoro-3-[(2S)-2-methylbutoxy]-7-(3-methylbutoxy)dibenzothiophene;4,6-difluoro-3-(3-methylbutoxy)-7-(4-methylpentoxy)dibenzothiophene;3-(2,4-dimethylpentoxy)-7-ethoxy-4,6-difluorodibenzothiophene;2-[(7-ethoxy-4,6-difluorodibenzothiophen-3-yl)oxymethyl]oxolane;3-ethoxy-4,6-difluoro-7-hexoxydibenzothiophene;3-ethoxy-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-ethoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene;bis(3-ethoxy-4,6-difluoro-7-pentoxydibenzothiophene);3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene (PubChem CID 164979360) has the molecular formula C334H368F32O33S16 and a molecular weight of 6031.59 g/mol. Its IUPAC name is 3-butoxy-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclobutylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopentylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopropylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;4,6-difluoro-3,7-bis(4-methylpentoxy)dibenzothiophene;4,6-difluoro-3-[(2S)-2-methylbutoxy]-7-(3-methylbutoxy)dibenzothiophene;4,6-difluoro-3-(3-methylbutoxy)-7-(4-methylpentoxy)dibenzothiophene;3-(2,4-dimethylpentoxy)-7-ethoxy-4,6-difluorodibenzothiophene;2-[(7-ethoxy-4,6-difluorodibenzothiophen-3-yl)oxymethyl]oxolane;3-ethoxy-4,6-difluoro-7-hexoxydibenzothiophene;3-ethoxy-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-ethoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene;bis(3-ethoxy-4,6-difluoro-7-pentoxydibenzothiophene);3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene.

Molecular Properties

Compound Name3-butoxy-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclobutylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopentylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopropylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;4,6-difluoro-3,7-bis(4-methylpentoxy)dibenzothiophene;4,6-difluoro-3-[(2S)-2-methylbutoxy]-7-(3-methylbutoxy)dibenzothiophene;4,6-difluoro-3-(3-methylbutoxy)-7-(4-methylpentoxy)dibenzothiophene;3-(2,4-dimethylpentoxy)-7-ethoxy-4,6-difluorodibenzothiophene;2-[(7-ethoxy-4,6-difluorodibenzothiophen-3-yl)oxymethyl]oxolane;3-ethoxy-4,6-difluoro-7-hexoxydibenzothiophene;3-ethoxy-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-ethoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene;bis(3-ethoxy-4,6-difluoro-7-pentoxydibenzothiophene);3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene
PubChem CID164979360
Molecular FormulaC334H368F32O33S16
Molecular Weight6031.59 g/mol
Exact Mass6026.21
IUPAC Name3-butoxy-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclobutylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopentylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopropylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;4,6-difluoro-3,7-bis(4-methylpentoxy)dibenzothiophene;4,6-difluoro-3-[(2S)-2-methylbutoxy]-7-(3-methylbutoxy)dibenzothiophene;4,6-difluoro-3-(3-methylbutoxy)-7-(4-methylpentoxy)dibenzothiophene;3-(2,4-dimethylpentoxy)-7-ethoxy-4,6-difluorodibenzothiophene;2-[(7-ethoxy-4,6-difluorodibenzothiophen-3-yl)oxymethyl]oxolane;3-ethoxy-4,6-difluoro-7-hexoxydibenzothiophene;3-ethoxy-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-ethoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene;bis(3-ethoxy-4,6-difluoro-7-pentoxydibenzothiophene);3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene
SMILESCC(C)CCCOc1ccc2c(sc3c(F)c(OCCC(C)C)ccc32)c1F.CC(C)CCCOc1ccc2c(sc3c(F)c(OCCCC(C)C)ccc32)c1F.CCC1CCC(COc2ccc3c(sc4c(F)c(OCCC(C)C)ccc43)c2F)CC1.CCC1CCC(COc2ccc3c(sc4c(F)c(OCCCC(C)C)ccc43)c2F)CC1.CCCCCCOc1ccc2c(sc3c(F)c(OCC)ccc32)c1F.CCCCCOc1ccc2c(sc3c(F)c(OCC)ccc32)c1F.CCCCCOc1ccc2c(sc3c(F)c(OCC)ccc32)c1F.CCCCOc1ccc2c(sc3c(F)c(OCC)ccc32)c1F.CCOc1ccc2c(sc3c(F)c(OCC(C)CC(C)C)ccc32)c1F.CCOc1ccc2c(sc3c(F)c(OCC4CC4)ccc32)c1F.CCOc1ccc2c(sc3c(F)c(OCC4CCC4)ccc32)c1F.CCOc1ccc2c(sc3c(F)c(OCC4CCCC4)ccc32)c1F.CCOc1ccc2c(sc3c(F)c(OCC4CCCO4)ccc32)c1F.CCOc1ccc2c(sc3c(F)c(OCCC(C)C)ccc32)c1F.CCOc1ccc2c(sc3c(F)c(OCCCC(C)C)ccc32)c1F.CC[C@H](C)COc1ccc2c(sc3c(F)c(OCCC(C)C)ccc32)c1F
InChIInChI=1S/C27H34F2O2S.C26H32F2O2S.C24H30F2O2S.C23H28F2O2S.C22H26F2O2S.C21H24F2O2S.C20H20F2O2S.2C20H22F2O2S.C19H18F2O3S.C19H18F2O2S.3C19H20F2O2S.C18H16F2O2S.C18H18F2O2S/c1-4-18-7-9-19(10-8-18)16-31-23-14-12-21-20-11-13-22(30-15-5-6-17(2)3)24(28)26(20)32-27(21)25(23)29;1-4-17-5-7-18(8-6-17)15-30-22-12-10-20-19-9-11-21(29-14-13-16(2)3)23(27)25(19)31-26(20)24(22)28;1-15(2)7-5-13-27-19-11-9-17-18-10-12-20(28-14-6-8-16(3)4)22(26)24(18)29-23(17)21(19)25;1-14(2)6-5-12-26-18-9-7-16-17-8-10-19(27-13-11-15(3)4)21(25)23(17)28-22(16)20(18)24;1-5-14(4)12-26-18-9-7-16-15-6-8-17(25-11-10-13(2)3)19(23)21(15)27-22(16)20(18)24;1-5-24-16-8-6-14-15-7-9-17(25-11-13(4)10-12(2)3)19(23)21(15)26-20(14)18(16)22;1-2-23-15-9-7-13-14-8-10-16(24-11-12-5-3-4-6-12)18(22)20(14)25-19(13)17(15)21;1-4-23-15-9-7-13-14-8-10-16(24-11-5-6-12(2)3)18(22)20(14)25-19(13)17(15)21;1-3-5-6-7-12-24-16-11-9-14-13-8-10-15(23-4-2)17(21)19(13)25-20(14)18(16)22;1-2-22-14-7-5-12-13-6-8-15(24-10-11-4-3-9-23-11)17(21)19(13)25-18(12)16(14)20;1-2-22-14-8-6-12-13-7-9-15(23-10-11-4-3-5-11)17(21)19(13)24-18(12)16(14)20;1-4-22-14-7-5-12-13-6-8-15(23-10-9-11(2)3)17(21)19(13)24-18(12)16(14)20;2*1-3-5-6-11-23-15-10-8-13-12-7-9-14(22-4-2)16(20)18(12)24-19(13)17(15)21;1-2-21-13-7-5-11-12-6-8-14(22-9-10-3-4-10)16(20)18(12)23-17(11)15(13)19;1-3-5-10-22-14-9-7-12-11-6-8-13(21-4-2)15(19)17(11)23-18(12)16(14)20/h11-14,17-19H,4-10,15-16H2,1-3H3;9-12,16-18H,4-8,13-15H2,1-3H3;9-12,15-16H,5-8,13-14H2,1-4H3;7-10,14-15H,5-6,11-13H2,1-4H3;6-9,13-14H,5,10-12H2,1-4H3;6-9,12-13H,5,10-11H2,1-4H3;7-10,12H,2-6,11H2,1H3;7-10,12H,4-6,11H2,1-3H3;8-11H,3-7,12H2,1-2H3;5-8,11H,2-4,9-10H2,1H3;6-9,11H,2-5,10H2,1H3;5-8,11H,4,9-10H2,1-3H3;2*7-10H,3-6,11H2,1-2H3;5-8,10H,2-4,9H2,1H3;6-9H,3-5,10H2,1-2H3/t;;;;14-;;;;;;;;;;;/m....0.........../s1
InChIKeyFGCWGNRLMFESAR-RRZOPDRFSA-N
XLogP107.53
TPSA304.59 Ų
H-Bond Donors
H-Bond Acceptors49
Rotatable Bonds112
Heavy Atoms415
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006031.59
LogP ≤ 5107.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1049

Analyze 3-butoxy-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclobutylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopentylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopropylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;4,6-difluoro-3,7-bis(4-methylpentoxy)dibenzothiophene;4,6-difluoro-3-[(2S)-2-methylbutoxy]-7-(3-methylbutoxy)dibenzothiophene;4,6-difluoro-3-(3-methylbutoxy)-7-(4-methylpentoxy)dibenzothiophene;3-(2,4-dimethylpentoxy)-7-ethoxy-4,6-difluorodibenzothiophene;2-[(7-ethoxy-4,6-difluorodibenzothiophen-3-yl)oxymethyl]oxolane;3-ethoxy-4,6-difluoro-7-hexoxydibenzothiophene;3-ethoxy-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-ethoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene;bis(3-ethoxy-4,6-difluoro-7-pentoxydibenzothiophene);3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene with MolForge

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Related Compounds

4,6-difluoro-3-[(2R)-2-methylbutoxy]-7-(3-methylbutoxy)dibenzothiophene
CID 163262104
4,6-difluoro-3-(2-methylbutoxy)-7-(3-methylbutoxy)dibenzothiophene
CID 167029200
3-[[4-(cyclopropylmethyl)cyclohexyl]methoxy]-4,6-difluoro-7-hexoxydibenzothiophene
CID 154962458
3-[[4-(cyclopropylmethyl)cyclohexyl]methoxy]-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene
CID 163262123
7-(cyclopentylmethoxy)-4,6-difluoro-2-methyl-3-pentoxydibenzothiophene
CID 164546211
3-ethoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene
CID 125470974
2-[(6-fluoro-7-propoxydibenzothiophen-3-yl)oxymethyl]oxolane
CID 166927056
3-butoxy-4,6-difluoro-7-hexoxydibenzothiophene
CID 118458309
3-(cyclobutylmethoxy)-4,6-difluoro-7-methyldibenzofuran;3-(cyclobutylmethoxy)-4,6-difluoro-7-methyldibenzothiophene;3-(cyclopentylmethoxy)-4,6-difluoro-7-methyldibenzofuran;3-(cyclopentylmethoxy)-4,6-difluoro-7-methyldibenzothiophene;3-(cyclopropylmethoxy)-4,6-difluoro-7-methyldibenzofuran;3-(cyclopropylmethoxy)-4,6-difluoro-7-methyldibenzothiophene
CID 161159773
3-butoxy-7-(cyclopentylmethoxy)-4,6-difluorodibenzofuran
CID 134454098
2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene
CID 19103474
1-butoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-ethoxy-4-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorobenzene;1-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene
CID 145231747

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclobutylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopentylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopropylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;4,6-difluoro-3,7-bis(4-methylpentoxy)dibenzothiophene;4,6-difluoro-3-[(2S)-2-methylbutoxy]-7-(3-methylbutoxy)dibenzothiophene;4,6-difluoro-3-(3-methylbutoxy)-7-(4-methylpentoxy)dibenzothiophene;3-(2,4-dimethylpentoxy)-7-ethoxy-4,6-difluorodibenzothiophene;2-[(7-ethoxy-4,6-difluorodibenzothiophen-3-yl)oxymethyl]oxolane;3-ethoxy-4,6-difluoro-7-hexoxydibenzothiophene;3-ethoxy-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-ethoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene;bis(3-ethoxy-4,6-difluoro-7-pentoxydibenzothiophene);3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene?
The IUPAC name of 3-butoxy-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclobutylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopentylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopropylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;4,6-difluoro-3,7-bis(4-methylpentoxy)dibenzothiophene;4,6-difluoro-3-[(2S)-2-methylbutoxy]-7-(3-methylbutoxy)dibenzothiophene;4,6-difluoro-3-(3-methylbutoxy)-7-(4-methylpentoxy)dibenzothiophene;3-(2,4-dimethylpentoxy)-7-ethoxy-4,6-difluorodibenzothiophene;2-[(7-ethoxy-4,6-difluorodibenzothiophen-3-yl)oxymethyl]oxolane;3-ethoxy-4,6-difluoro-7-hexoxydibenzothiophene;3-ethoxy-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-ethoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene;bis(3-ethoxy-4,6-difluoro-7-pentoxydibenzothiophene);3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene (CID 164979360) is 3-butoxy-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclobutylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopentylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopropylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;4,6-difluoro-3,7-bis(4-methylpentoxy)dibenzothiophene;4,6-difluoro-3-[(2S)-2-methylbutoxy]-7-(3-methylbutoxy)dibenzothiophene;4,6-difluoro-3-(3-methylbutoxy)-7-(4-methylpentoxy)dibenzothiophene;3-(2,4-dimethylpentoxy)-7-ethoxy-4,6-difluorodibenzothiophene;2-[(7-ethoxy-4,6-difluorodibenzothiophen-3-yl)oxymethyl]oxolane;3-ethoxy-4,6-difluoro-7-hexoxydibenzothiophene;3-ethoxy-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-ethoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene;bis(3-ethoxy-4,6-difluoro-7-pentoxydibenzothiophene);3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene.
What is the SMILES notation for 3-butoxy-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclobutylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopentylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopropylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;4,6-difluoro-3,7-bis(4-methylpentoxy)dibenzothiophene;4,6-difluoro-3-[(2S)-2-methylbutoxy]-7-(3-methylbutoxy)dibenzothiophene;4,6-difluoro-3-(3-methylbutoxy)-7-(4-methylpentoxy)dibenzothiophene;3-(2,4-dimethylpentoxy)-7-ethoxy-4,6-difluorodibenzothiophene;2-[(7-ethoxy-4,6-difluorodibenzothiophen-3-yl)oxymethyl]oxolane;3-ethoxy-4,6-difluoro-7-hexoxydibenzothiophene;3-ethoxy-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-ethoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene;bis(3-ethoxy-4,6-difluoro-7-pentoxydibenzothiophene);3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene?
The canonical SMILES for 3-butoxy-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclobutylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopentylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopropylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;4,6-difluoro-3,7-bis(4-methylpentoxy)dibenzothiophene;4,6-difluoro-3-[(2S)-2-methylbutoxy]-7-(3-methylbutoxy)dibenzothiophene;4,6-difluoro-3-(3-methylbutoxy)-7-(4-methylpentoxy)dibenzothiophene;3-(2,4-dimethylpentoxy)-7-ethoxy-4,6-difluorodibenzothiophene;2-[(7-ethoxy-4,6-difluorodibenzothiophen-3-yl)oxymethyl]oxolane;3-ethoxy-4,6-difluoro-7-hexoxydibenzothiophene;3-ethoxy-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-ethoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene;bis(3-ethoxy-4,6-difluoro-7-pentoxydibenzothiophene);3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene is CC(C)CCCOc1ccc2c(sc3c(F)c(OCCC(C)C)ccc32)c1F.CC(C)CCCOc1ccc2c(sc3c(F)c(OCCCC(C)C)ccc32)c1F.CCC1CCC(COc2ccc3c(sc4c(F)c(OCCC(C)C)ccc43)c2F)CC1.CCC1CCC(COc2ccc3c(sc4c(F)c(OCCCC(C)C)ccc43)c2F)CC1.CCCCCCOc1ccc2c(sc3c(F)c(OCC)ccc32)c1F.CCCCCOc1ccc2c(sc3c(F)c(OCC)ccc32)c1F.CCCCCOc1ccc2c(sc3c(F)c(OCC)ccc32)c1F.CCCCOc1ccc2c(sc3c(F)c(OCC)ccc32)c1F.CCOc1ccc2c(sc3c(F)c(OCC(C)CC(C)C)ccc32)c1F.CCOc1ccc2c(sc3c(F)c(OCC4CC4)ccc32)c1F.CCOc1ccc2c(sc3c(F)c(OCC4CCC4)ccc32)c1F.CCOc1ccc2c(sc3c(F)c(OCC4CCCC4)ccc32)c1F.CCOc1ccc2c(sc3c(F)c(OCC4CCCO4)ccc32)c1F.CCOc1ccc2c(sc3c(F)c(OCCC(C)C)ccc32)c1F.CCOc1ccc2c(sc3c(F)c(OCCCC(C)C)ccc32)c1F.CC[C@H](C)COc1ccc2c(sc3c(F)c(OCCC(C)C)ccc32)c1F.
What is the InChIKey of 3-butoxy-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclobutylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopentylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopropylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;4,6-difluoro-3,7-bis(4-methylpentoxy)dibenzothiophene;4,6-difluoro-3-[(2S)-2-methylbutoxy]-7-(3-methylbutoxy)dibenzothiophene;4,6-difluoro-3-(3-methylbutoxy)-7-(4-methylpentoxy)dibenzothiophene;3-(2,4-dimethylpentoxy)-7-ethoxy-4,6-difluorodibenzothiophene;2-[(7-ethoxy-4,6-difluorodibenzothiophen-3-yl)oxymethyl]oxolane;3-ethoxy-4,6-difluoro-7-hexoxydibenzothiophene;3-ethoxy-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-ethoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene;bis(3-ethoxy-4,6-difluoro-7-pentoxydibenzothiophene);3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene?
The InChIKey is FGCWGNRLMFESAR-RRZOPDRFSA-N. The full InChI is InChI=1S/C27H34F2O2S.C26H32F2O2S.C24H30F2O2S.C23H28F2O2S.C22H26F2O2S.C21H24F2O2S.C20H20F2O2S.2C20H22F2O2S.C19H18F2O3S.C19H18F2O2S.3C19H20F2O2S.C18H16F2O2S.C18H18F2O2S/c1-4-18-7-9-19(10-8-18)16-31-23-14-12-21-20-11-13-22(30-15-5-6-17(2)3)24(28)26(20)32-27(21)25(23)29;1-4-17-5-7-18(8-6-17)15-30-22-12-10-20-19-9-11-21(29-14-13-16(2)3)23(27)25(19)31-26(20)24(22)28;1-15(2)7-5-13-27-19-11-9-17-18-10-12-20(28-14-6-8-16(3)4)22(26)24(18)29-23(17)21(19)25;1-14(2)6-5-12-26-18-9-7-16-17-8-10-19(27-13-11-15(3)4)21(25)23(17)28-22(16)20(18)24;1-5-14(4)12-26-18-9-7-16-15-6-8-17(25-11-10-13(2)3)19(23)21(15)27-22(16)20(18)24;1-5-24-16-8-6-14-15-7-9-17(25-11-13(4)10-12(2)3)19(23)21(15)26-20(14)18(16)22;1-2-23-15-9-7-13-14-8-10-16(24-11-12-5-3-4-6-12)18(22)20(14)25-19(13)17(15)21;1-4-23-15-9-7-13-14-8-10-16(24-11-5-6-12(2)3)18(22)20(14)25-19(13)17(15)21;1-3-5-6-7-12-24-16-11-9-14-13-8-10-15(23-4-2)17(21)19(13)25-20(14)18(16)22;1-2-22-14-7-5-12-13-6-8-15(24-10-11-4-3-9-23-11)17(21)19(13)25-18(12)16(14)20;1-2-22-14-8-6-12-13-7-9-15(23-10-11-4-3-5-11)17(21)19(13)24-18(12)16(14)20;1-4-22-14-7-5-12-13-6-8-15(23-10-9-11(2)3)17(21)19(13)24-18(12)16(14)20;2*1-3-5-6-11-23-15-10-8-13-12-7-9-14(22-4-2)16(20)18(12)24-19(13)17(15)21;1-2-21-13-7-5-11-12-6-8-14(22-9-10-3-4-10)16(20)18(12)23-17(11)15(13)19;1-3-5-10-22-14-9-7-12-11-6-8-13(21-4-2)15(19)17(11)23-18(12)16(14)20/h11-14,17-19H,4-10,15-16H2,1-3H3;9-12,16-18H,4-8,13-15H2,1-3H3;9-12,15-16H,5-8,13-14H2,1-4H3;7-10,14-15H,5-6,11-13H2,1-4H3;6-9,13-14H,5,10-12H2,1-4H3;6-9,12-13H,5,10-11H2,1-4H3;7-10,12H,2-6,11H2,1H3;7-10,12H,4-6,11H2,1-3H3;8-11H,3-7,12H2,1-2H3;5-8,11H,2-4,9-10H2,1H3;6-9,11H,2-5,10H2,1H3;5-8,11H,4,9-10H2,1-3H3;2*7-10H,3-6,11H2,1-2H3;5-8,10H,2-4,9H2,1H3;6-9H,3-5,10H2,1-2H3/t;;;;14-;;;;;;;;;;;/m....0.........../s1.
What are the key properties of 3-butoxy-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclobutylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopentylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopropylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;4,6-difluoro-3,7-bis(4-methylpentoxy)dibenzothiophene;4,6-difluoro-3-[(2S)-2-methylbutoxy]-7-(3-methylbutoxy)dibenzothiophene;4,6-difluoro-3-(3-methylbutoxy)-7-(4-methylpentoxy)dibenzothiophene;3-(2,4-dimethylpentoxy)-7-ethoxy-4,6-difluorodibenzothiophene;2-[(7-ethoxy-4,6-difluorodibenzothiophen-3-yl)oxymethyl]oxolane;3-ethoxy-4,6-difluoro-7-hexoxydibenzothiophene;3-ethoxy-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-ethoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene;bis(3-ethoxy-4,6-difluoro-7-pentoxydibenzothiophene);3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene?
3-butoxy-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclobutylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopentylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopropylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;4,6-difluoro-3,7-bis(4-methylpentoxy)dibenzothiophene;4,6-difluoro-3-[(2S)-2-methylbutoxy]-7-(3-methylbutoxy)dibenzothiophene;4,6-difluoro-3-(3-methylbutoxy)-7-(4-methylpentoxy)dibenzothiophene;3-(2,4-dimethylpentoxy)-7-ethoxy-4,6-difluorodibenzothiophene;2-[(7-ethoxy-4,6-difluorodibenzothiophen-3-yl)oxymethyl]oxolane;3-ethoxy-4,6-difluoro-7-hexoxydibenzothiophene;3-ethoxy-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-ethoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene;bis(3-ethoxy-4,6-difluoro-7-pentoxydibenzothiophene);3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene has a molecular weight of 6031.59 g/mol, XLogP of 107.53, 112 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclobutylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopentylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;3-(cyclopropylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene;4,6-difluoro-3,7-bis(4-methylpentoxy)dibenzothiophene;4,6-difluoro-3-[(2S)-2-methylbutoxy]-7-(3-methylbutoxy)dibenzothiophene;4,6-difluoro-3-(3-methylbutoxy)-7-(4-methylpentoxy)dibenzothiophene;3-(2,4-dimethylpentoxy)-7-ethoxy-4,6-difluorodibenzothiophene;2-[(7-ethoxy-4,6-difluorodibenzothiophen-3-yl)oxymethyl]oxolane;3-ethoxy-4,6-difluoro-7-hexoxydibenzothiophene;3-ethoxy-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-ethoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene;bis(3-ethoxy-4,6-difluoro-7-pentoxydibenzothiophene);3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(3-methylbutoxy)dibenzothiophene;3-[(4-ethylcyclohexyl)methoxy]-4,6-difluoro-7-(4-methylpentoxy)dibenzothiophene is sourced from PubChem (CID 164979360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).