3-bromo-5-ethyl-2-methylfuran;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzaldehyde;4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-2-carbaldehyde;1-(5-ethyl-2-methylfuran-3-yl)-3,4-dihydro-1H-isochromene;(5-ethyl-2-methylfuran-3-yl)-[2-(2-hydroxyethyl)phenyl]methanone;2-[2-[(5-ethyl-2-methylfuran-3-yl)-hydroxymethyl]phenyl]ethanol

C85H103BrO14Si — CID 158398026

IUPAC3-bromo-5-ethyl-2-methylfuran;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzaldehyde;4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-2-carbaldehyde;1-(5-ethyl-2-methylfuran-3-yl)-3,4-dihydro-1H-isochromene;(5-ethyl-2-methylfuran-3-yl)-[2-(2-hydroxyethyl)phenyl]methanone;2-[2-[(5-ethyl-2-methylfuran-3-yl)-hydroxymethyl]phenyl]ethanol
SMILESCC(C)(C)[Si](C)(C)OCCc1ccccc1C=O.CCc1cc(Br)c(C)o1.CCc1cc(C(=O)c2ccccc2CCO)c(C)o1.CCc1cc(C(O)c2ccccc2CCO)c(C)o1.CCc1cc(C2OCCc3ccccc32)c(C)o1.Cc1oc(C=O)cc1C1OCCc2ccccc21
InChIInChI=1S/C16H20O3.C16H18O3.C16H18O2.C15H14O3.C15H24O2Si.C7H9BrO/c2*1-3-13-10-15(11(2)19-13)16(18)14-7-5-4-6-12(14)8-9-17;1-3-13-10-15(11(2)18-13)16-14-7-5-4-6-12(14)8-9-17-16;1-10-14(8-12(9-16)18-10)15-13-5-3-2-4-11(13)6-7-17-15;1-15(2,3)18(4,5)17-11-10-13-8-6-7-9-14(13)12-16;1-3-6-4-7(8)5(2)9-6/h4-7,10,16-18H,3,8-9H2,1-2H3;4-7,10,17H,3,8-9H2,1-2H3;4-7,10,16H,3,8-9H2,1-2H3;2-5,8-9,15H,6-7H2,1H3;6-9,12H,10-11H2,1-5H3;4H,3H2,1-2H3
InChIKeyGXTGCJCUHJNNRC-UHFFFAOYSA-N
MW1456.73 g/mol
LogP19.53
Rot. Bonds20

About 3-bromo-5-ethyl-2-methylfuran;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzaldehyde;4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-2-carbaldehyde;1-(5-ethyl-2-methylfuran-3-yl)-3,4-dihydro-1H-isochromene;(5-ethyl-2-methylfuran-3-yl)-[2-(2-hydroxyethyl)phenyl]methanone;2-[2-[(5-ethyl-2-methylfuran-3-yl)-hydroxymethyl]phenyl]ethanol

3-bromo-5-ethyl-2-methylfuran;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzaldehyde;4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-2-carbaldehyde;1-(5-ethyl-2-methylfuran-3-yl)-3,4-dihydro-1H-isochromene;(5-ethyl-2-methylfuran-3-yl)-[2-(2-hydroxyethyl)phenyl]methanone;2-[2-[(5-ethyl-2-methylfuran-3-yl)-hydroxymethyl]phenyl]ethanol (PubChem CID 158398026) has the molecular formula C85H103BrO14Si and a molecular weight of 1456.73 g/mol. Its IUPAC name is 3-bromo-5-ethyl-2-methylfuran;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzaldehyde;4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-2-carbaldehyde;1-(5-ethyl-2-methylfuran-3-yl)-3,4-dihydro-1H-isochromene;(5-ethyl-2-methylfuran-3-yl)-[2-(2-hydroxyethyl)phenyl]methanone;2-[2-[(5-ethyl-2-methylfuran-3-yl)-hydroxymethyl]phenyl]ethanol.

Molecular Properties

Compound Name3-bromo-5-ethyl-2-methylfuran;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzaldehyde;4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-2-carbaldehyde;1-(5-ethyl-2-methylfuran-3-yl)-3,4-dihydro-1H-isochromene;(5-ethyl-2-methylfuran-3-yl)-[2-(2-hydroxyethyl)phenyl]methanone;2-[2-[(5-ethyl-2-methylfuran-3-yl)-hydroxymethyl]phenyl]ethanol
PubChem CID158398026
Molecular FormulaC85H103BrO14Si
Molecular Weight1456.73 g/mol
Exact Mass1454.63
IUPAC Name3-bromo-5-ethyl-2-methylfuran;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzaldehyde;4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-2-carbaldehyde;1-(5-ethyl-2-methylfuran-3-yl)-3,4-dihydro-1H-isochromene;(5-ethyl-2-methylfuran-3-yl)-[2-(2-hydroxyethyl)phenyl]methanone;2-[2-[(5-ethyl-2-methylfuran-3-yl)-hydroxymethyl]phenyl]ethanol
SMILESCC(C)(C)[Si](C)(C)OCCc1ccccc1C=O.CCc1cc(Br)c(C)o1.CCc1cc(C(=O)c2ccccc2CCO)c(C)o1.CCc1cc(C(O)c2ccccc2CCO)c(C)o1.CCc1cc(C2OCCc3ccccc32)c(C)o1.Cc1oc(C=O)cc1C1OCCc2ccccc21
InChIInChI=1S/C16H20O3.C16H18O3.C16H18O2.C15H14O3.C15H24O2Si.C7H9BrO/c2*1-3-13-10-15(11(2)19-13)16(18)14-7-5-4-6-12(14)8-9-17;1-3-13-10-15(11(2)18-13)16-14-7-5-4-6-12(14)8-9-17-16;1-10-14(8-12(9-16)18-10)15-13-5-3-2-4-11(13)6-7-17-15;1-15(2,3)18(4,5)17-11-10-13-8-6-7-9-14(13)12-16;1-3-6-4-7(8)5(2)9-6/h4-7,10,16-18H,3,8-9H2,1-2H3;4-7,10,17H,3,8-9H2,1-2H3;4-7,10,16H,3,8-9H2,1-2H3;2-5,8-9,15H,6-7H2,1H3;6-9,12H,10-11H2,1-5H3;4H,3H2,1-2H3
InChIKeyGXTGCJCUHJNNRC-UHFFFAOYSA-N
XLogP19.53
TPSA205.29 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001456.73
LogP ≤ 519.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 3-bromo-5-ethyl-2-methylfuran;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzaldehyde;4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-2-carbaldehyde;1-(5-ethyl-2-methylfuran-3-yl)-3,4-dihydro-1H-isochromene;(5-ethyl-2-methylfuran-3-yl)-[2-(2-hydroxyethyl)phenyl]methanone;2-[2-[(5-ethyl-2-methylfuran-3-yl)-hydroxymethyl]phenyl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-ethyl-2-methylfuran;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzaldehyde;4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-2-carbaldehyde;1-(5-ethyl-2-methylfuran-3-yl)-3,4-dihydro-1H-isochromene;(5-ethyl-2-methylfuran-3-yl)-[2-(2-hydroxyethyl)phenyl]methanone;2-[2-[(5-ethyl-2-methylfuran-3-yl)-hydroxymethyl]phenyl]ethanol?
The IUPAC name of 3-bromo-5-ethyl-2-methylfuran;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzaldehyde;4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-2-carbaldehyde;1-(5-ethyl-2-methylfuran-3-yl)-3,4-dihydro-1H-isochromene;(5-ethyl-2-methylfuran-3-yl)-[2-(2-hydroxyethyl)phenyl]methanone;2-[2-[(5-ethyl-2-methylfuran-3-yl)-hydroxymethyl]phenyl]ethanol (CID 158398026) is 3-bromo-5-ethyl-2-methylfuran;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzaldehyde;4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-2-carbaldehyde;1-(5-ethyl-2-methylfuran-3-yl)-3,4-dihydro-1H-isochromene;(5-ethyl-2-methylfuran-3-yl)-[2-(2-hydroxyethyl)phenyl]methanone;2-[2-[(5-ethyl-2-methylfuran-3-yl)-hydroxymethyl]phenyl]ethanol.
What is the SMILES notation for 3-bromo-5-ethyl-2-methylfuran;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzaldehyde;4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-2-carbaldehyde;1-(5-ethyl-2-methylfuran-3-yl)-3,4-dihydro-1H-isochromene;(5-ethyl-2-methylfuran-3-yl)-[2-(2-hydroxyethyl)phenyl]methanone;2-[2-[(5-ethyl-2-methylfuran-3-yl)-hydroxymethyl]phenyl]ethanol?
The canonical SMILES for 3-bromo-5-ethyl-2-methylfuran;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzaldehyde;4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-2-carbaldehyde;1-(5-ethyl-2-methylfuran-3-yl)-3,4-dihydro-1H-isochromene;(5-ethyl-2-methylfuran-3-yl)-[2-(2-hydroxyethyl)phenyl]methanone;2-[2-[(5-ethyl-2-methylfuran-3-yl)-hydroxymethyl]phenyl]ethanol is CC(C)(C)[Si](C)(C)OCCc1ccccc1C=O.CCc1cc(Br)c(C)o1.CCc1cc(C(=O)c2ccccc2CCO)c(C)o1.CCc1cc(C(O)c2ccccc2CCO)c(C)o1.CCc1cc(C2OCCc3ccccc32)c(C)o1.Cc1oc(C=O)cc1C1OCCc2ccccc21.
What is the InChIKey of 3-bromo-5-ethyl-2-methylfuran;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzaldehyde;4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-2-carbaldehyde;1-(5-ethyl-2-methylfuran-3-yl)-3,4-dihydro-1H-isochromene;(5-ethyl-2-methylfuran-3-yl)-[2-(2-hydroxyethyl)phenyl]methanone;2-[2-[(5-ethyl-2-methylfuran-3-yl)-hydroxymethyl]phenyl]ethanol?
The InChIKey is GXTGCJCUHJNNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3.C16H18O3.C16H18O2.C15H14O3.C15H24O2Si.C7H9BrO/c2*1-3-13-10-15(11(2)19-13)16(18)14-7-5-4-6-12(14)8-9-17;1-3-13-10-15(11(2)18-13)16-14-7-5-4-6-12(14)8-9-17-16;1-10-14(8-12(9-16)18-10)15-13-5-3-2-4-11(13)6-7-17-15;1-15(2,3)18(4,5)17-11-10-13-8-6-7-9-14(13)12-16;1-3-6-4-7(8)5(2)9-6/h4-7,10,16-18H,3,8-9H2,1-2H3;4-7,10,17H,3,8-9H2,1-2H3;4-7,10,16H,3,8-9H2,1-2H3;2-5,8-9,15H,6-7H2,1H3;6-9,12H,10-11H2,1-5H3;4H,3H2,1-2H3.
What are the key properties of 3-bromo-5-ethyl-2-methylfuran;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzaldehyde;4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-2-carbaldehyde;1-(5-ethyl-2-methylfuran-3-yl)-3,4-dihydro-1H-isochromene;(5-ethyl-2-methylfuran-3-yl)-[2-(2-hydroxyethyl)phenyl]methanone;2-[2-[(5-ethyl-2-methylfuran-3-yl)-hydroxymethyl]phenyl]ethanol?
3-bromo-5-ethyl-2-methylfuran;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzaldehyde;4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-2-carbaldehyde;1-(5-ethyl-2-methylfuran-3-yl)-3,4-dihydro-1H-isochromene;(5-ethyl-2-methylfuran-3-yl)-[2-(2-hydroxyethyl)phenyl]methanone;2-[2-[(5-ethyl-2-methylfuran-3-yl)-hydroxymethyl]phenyl]ethanol has a molecular weight of 1456.73 g/mol, XLogP of 19.53, 20 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-ethyl-2-methylfuran;2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzaldehyde;4-(3,4-dihydro-1H-isochromen-1-yl)-5-methylfuran-2-carbaldehyde;1-(5-ethyl-2-methylfuran-3-yl)-3,4-dihydro-1H-isochromene;(5-ethyl-2-methylfuran-3-yl)-[2-(2-hydroxyethyl)phenyl]methanone;2-[2-[(5-ethyl-2-methylfuran-3-yl)-hydroxymethyl]phenyl]ethanol is sourced from PubChem (CID 158398026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).