3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran;3-ethoxy-4,6-difluoro-7-(trifluoromethoxy)dibenzofuran;3-ethoxy-7-(4-ethylcyclohexyl)-4,6-difluorodibenzofuran;3-ethoxy-7-(4-ethyl-2-fluorophenyl)-4,6-difluorodibenzofuran;3-ethoxy-7-(4-ethylphenyl)-4,6-difluorodibenzofuran

C100H88F14O12 — CID 157217594

IUPAC3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran;3-ethoxy-4,6-difluoro-7-(trifluoromethoxy)dibenzofuran;3-ethoxy-7-(4-ethylcyclohexyl)-4,6-difluorodibenzofuran;3-ethoxy-7-(4-ethyl-2-fluorophenyl)-4,6-difluorodibenzofuran;3-ethoxy-7-(4-ethylphenyl)-4,6-difluorodibenzofuran
SMILESCCCCCOc1ccc2c(oc3c(F)c(OCC)ccc32)c1F.CCOc1ccc2c(oc3c(F)c(-c4ccc(CC)cc4)ccc32)c1F.CCOc1ccc2c(oc3c(F)c(-c4ccc(CC)cc4F)ccc32)c1F.CCOc1ccc2c(oc3c(F)c(C4CCC(CC)CC4)ccc32)c1F.CCOc1ccc2c(oc3c(F)c(OC(F)(F)F)ccc32)c1F
InChIInChI=1S/C22H17F3O2.C22H24F2O2.C22H18F2O2.C19H20F2O3.C15H9F5O3/c1-3-12-5-6-13(17(23)11-12)14-7-8-15-16-9-10-18(26-4-2)20(25)22(16)27-21(15)19(14)24;2*1-3-13-5-7-14(8-6-13)15-9-10-16-17-11-12-18(25-4-2)20(24)22(17)26-21(16)19(15)23;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;1-2-21-9-5-3-7-8-4-6-10(23-15(18,19)20)12(17)14(8)22-13(7)11(9)16/h5-11H,3-4H2,1-2H3;9-14H,3-8H2,1-2H3;5-12H,3-4H2,1-2H3;7-10H,3-6,11H2,1-2H3;3-6H,2H2,1H3
InChIKeyASPHYTHADYULCI-UHFFFAOYSA-N
MW1747.76 g/mol
LogP31.06
Rot. Bonds22

About 3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran;3-ethoxy-4,6-difluoro-7-(trifluoromethoxy)dibenzofuran;3-ethoxy-7-(4-ethylcyclohexyl)-4,6-difluorodibenzofuran;3-ethoxy-7-(4-ethyl-2-fluorophenyl)-4,6-difluorodibenzofuran;3-ethoxy-7-(4-ethylphenyl)-4,6-difluorodibenzofuran

3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran;3-ethoxy-4,6-difluoro-7-(trifluoromethoxy)dibenzofuran;3-ethoxy-7-(4-ethylcyclohexyl)-4,6-difluorodibenzofuran;3-ethoxy-7-(4-ethyl-2-fluorophenyl)-4,6-difluorodibenzofuran;3-ethoxy-7-(4-ethylphenyl)-4,6-difluorodibenzofuran (PubChem CID 157217594) has the molecular formula C100H88F14O12 and a molecular weight of 1747.76 g/mol. Its IUPAC name is 3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran;3-ethoxy-4,6-difluoro-7-(trifluoromethoxy)dibenzofuran;3-ethoxy-7-(4-ethylcyclohexyl)-4,6-difluorodibenzofuran;3-ethoxy-7-(4-ethyl-2-fluorophenyl)-4,6-difluorodibenzofuran;3-ethoxy-7-(4-ethylphenyl)-4,6-difluorodibenzofuran.

Molecular Properties

Compound Name3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran;3-ethoxy-4,6-difluoro-7-(trifluoromethoxy)dibenzofuran;3-ethoxy-7-(4-ethylcyclohexyl)-4,6-difluorodibenzofuran;3-ethoxy-7-(4-ethyl-2-fluorophenyl)-4,6-difluorodibenzofuran;3-ethoxy-7-(4-ethylphenyl)-4,6-difluorodibenzofuran
PubChem CID157217594
Molecular FormulaC100H88F14O12
Molecular Weight1747.76 g/mol
Exact Mass1746.61
IUPAC Name3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran;3-ethoxy-4,6-difluoro-7-(trifluoromethoxy)dibenzofuran;3-ethoxy-7-(4-ethylcyclohexyl)-4,6-difluorodibenzofuran;3-ethoxy-7-(4-ethyl-2-fluorophenyl)-4,6-difluorodibenzofuran;3-ethoxy-7-(4-ethylphenyl)-4,6-difluorodibenzofuran
SMILESCCCCCOc1ccc2c(oc3c(F)c(OCC)ccc32)c1F.CCOc1ccc2c(oc3c(F)c(-c4ccc(CC)cc4)ccc32)c1F.CCOc1ccc2c(oc3c(F)c(-c4ccc(CC)cc4F)ccc32)c1F.CCOc1ccc2c(oc3c(F)c(C4CCC(CC)CC4)ccc32)c1F.CCOc1ccc2c(oc3c(F)c(OC(F)(F)F)ccc32)c1F
InChIInChI=1S/C22H17F3O2.C22H24F2O2.C22H18F2O2.C19H20F2O3.C15H9F5O3/c1-3-12-5-6-13(17(23)11-12)14-7-8-15-16-9-10-18(26-4-2)20(25)22(16)27-21(15)19(14)24;2*1-3-13-5-7-14(8-6-13)15-9-10-16-17-11-12-18(25-4-2)20(24)22(17)26-21(16)19(15)23;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;1-2-21-9-5-3-7-8-4-6-10(23-15(18,19)20)12(17)14(8)22-13(7)11(9)16/h5-11H,3-4H2,1-2H3;9-14H,3-8H2,1-2H3;5-12H,3-4H2,1-2H3;7-10H,3-6,11H2,1-2H3;3-6H,2H2,1H3
InChIKeyASPHYTHADYULCI-UHFFFAOYSA-N
XLogP31.06
TPSA130.31 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001747.76
LogP ≤ 531.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran;3-ethoxy-4,6-difluoro-7-(trifluoromethoxy)dibenzofuran;3-ethoxy-7-(4-ethylcyclohexyl)-4,6-difluorodibenzofuran;3-ethoxy-7-(4-ethyl-2-fluorophenyl)-4,6-difluorodibenzofuran;3-ethoxy-7-(4-ethylphenyl)-4,6-difluorodibenzofuran with MolForge

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Related Compounds

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Gneyulin B
CID 46210600
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5-[(2R,2a(2)S,3R,3a(2)S)-5-[(1E)-2-[3-(3,5-Dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-4-benzofuranyl]ethenyl]-2,2a(2),3,3a(2)-tetrahydro-6a(2)-hydroxy-2,2a(2)-bis(4-hydroxyphenyl)[3,4a(2)-bibenzofuran]-3a(2)-yl]-1,3-benzenediol
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4-[3-(3,5-Dihydroxyphenyl)-5-[3-(3,5-dihydroxyphenyl)-4-hydroxy-6-(6-hydroxy-1-benzofuran-2-yl)-2,3-dihydro-1-benzofuran-2-yl]-6-hydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,3-diol
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5-[(2S,3S)-4-[(2S,3R)-5-[(E)-2-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-4-yl]ethenyl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
CID 162871369

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran;3-ethoxy-4,6-difluoro-7-(trifluoromethoxy)dibenzofuran;3-ethoxy-7-(4-ethylcyclohexyl)-4,6-difluorodibenzofuran;3-ethoxy-7-(4-ethyl-2-fluorophenyl)-4,6-difluorodibenzofuran;3-ethoxy-7-(4-ethylphenyl)-4,6-difluorodibenzofuran?
The IUPAC name of 3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran;3-ethoxy-4,6-difluoro-7-(trifluoromethoxy)dibenzofuran;3-ethoxy-7-(4-ethylcyclohexyl)-4,6-difluorodibenzofuran;3-ethoxy-7-(4-ethyl-2-fluorophenyl)-4,6-difluorodibenzofuran;3-ethoxy-7-(4-ethylphenyl)-4,6-difluorodibenzofuran (CID 157217594) is 3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran;3-ethoxy-4,6-difluoro-7-(trifluoromethoxy)dibenzofuran;3-ethoxy-7-(4-ethylcyclohexyl)-4,6-difluorodibenzofuran;3-ethoxy-7-(4-ethyl-2-fluorophenyl)-4,6-difluorodibenzofuran;3-ethoxy-7-(4-ethylphenyl)-4,6-difluorodibenzofuran.
What is the SMILES notation for 3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran;3-ethoxy-4,6-difluoro-7-(trifluoromethoxy)dibenzofuran;3-ethoxy-7-(4-ethylcyclohexyl)-4,6-difluorodibenzofuran;3-ethoxy-7-(4-ethyl-2-fluorophenyl)-4,6-difluorodibenzofuran;3-ethoxy-7-(4-ethylphenyl)-4,6-difluorodibenzofuran?
The canonical SMILES for 3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran;3-ethoxy-4,6-difluoro-7-(trifluoromethoxy)dibenzofuran;3-ethoxy-7-(4-ethylcyclohexyl)-4,6-difluorodibenzofuran;3-ethoxy-7-(4-ethyl-2-fluorophenyl)-4,6-difluorodibenzofuran;3-ethoxy-7-(4-ethylphenyl)-4,6-difluorodibenzofuran is CCCCCOc1ccc2c(oc3c(F)c(OCC)ccc32)c1F.CCOc1ccc2c(oc3c(F)c(-c4ccc(CC)cc4)ccc32)c1F.CCOc1ccc2c(oc3c(F)c(-c4ccc(CC)cc4F)ccc32)c1F.CCOc1ccc2c(oc3c(F)c(C4CCC(CC)CC4)ccc32)c1F.CCOc1ccc2c(oc3c(F)c(OC(F)(F)F)ccc32)c1F.
What is the InChIKey of 3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran;3-ethoxy-4,6-difluoro-7-(trifluoromethoxy)dibenzofuran;3-ethoxy-7-(4-ethylcyclohexyl)-4,6-difluorodibenzofuran;3-ethoxy-7-(4-ethyl-2-fluorophenyl)-4,6-difluorodibenzofuran;3-ethoxy-7-(4-ethylphenyl)-4,6-difluorodibenzofuran?
The InChIKey is ASPHYTHADYULCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3O2.C22H24F2O2.C22H18F2O2.C19H20F2O3.C15H9F5O3/c1-3-12-5-6-13(17(23)11-12)14-7-8-15-16-9-10-18(26-4-2)20(25)22(16)27-21(15)19(14)24;2*1-3-13-5-7-14(8-6-13)15-9-10-16-17-11-12-18(25-4-2)20(24)22(17)26-21(16)19(15)23;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;1-2-21-9-5-3-7-8-4-6-10(23-15(18,19)20)12(17)14(8)22-13(7)11(9)16/h5-11H,3-4H2,1-2H3;9-14H,3-8H2,1-2H3;5-12H,3-4H2,1-2H3;7-10H,3-6,11H2,1-2H3;3-6H,2H2,1H3.
What are the key properties of 3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran;3-ethoxy-4,6-difluoro-7-(trifluoromethoxy)dibenzofuran;3-ethoxy-7-(4-ethylcyclohexyl)-4,6-difluorodibenzofuran;3-ethoxy-7-(4-ethyl-2-fluorophenyl)-4,6-difluorodibenzofuran;3-ethoxy-7-(4-ethylphenyl)-4,6-difluorodibenzofuran?
3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran;3-ethoxy-4,6-difluoro-7-(trifluoromethoxy)dibenzofuran;3-ethoxy-7-(4-ethylcyclohexyl)-4,6-difluorodibenzofuran;3-ethoxy-7-(4-ethyl-2-fluorophenyl)-4,6-difluorodibenzofuran;3-ethoxy-7-(4-ethylphenyl)-4,6-difluorodibenzofuran has a molecular weight of 1747.76 g/mol, XLogP of 31.06, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran;3-ethoxy-4,6-difluoro-7-(trifluoromethoxy)dibenzofuran;3-ethoxy-7-(4-ethylcyclohexyl)-4,6-difluorodibenzofuran;3-ethoxy-7-(4-ethyl-2-fluorophenyl)-4,6-difluorodibenzofuran;3-ethoxy-7-(4-ethylphenyl)-4,6-difluorodibenzofuran is sourced from PubChem (CID 157217594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).