3-(ethoxymethyl)furan;3-(ethoxymethyl)-1H-indole;2-(ethoxymethyl)-5-methylfuran;4-(ethoxymethyl)-2-methylthiophene;1-(2-methoxyethoxy)propane;3-methyl-4-(propoxymethyl)thiophene;3-(propoxymethyl)-1-benzofuran;3-(propoxymethyl)furan;3-(propoxymethyl)-1H-indole

C81H116N2O14S2 — CID 161432227

IUPAC3-(ethoxymethyl)furan;3-(ethoxymethyl)-1H-indole;2-(ethoxymethyl)-5-methylfuran;4-(ethoxymethyl)-2-methylthiophene;1-(2-methoxyethoxy)propane;3-methyl-4-(propoxymethyl)thiophene;3-(propoxymethyl)-1-benzofuran;3-(propoxymethyl)furan;3-(propoxymethyl)-1H-indole
SMILESCCCOCCOC.CCCOCc1c[nH]c2ccccc12.CCCOCc1ccoc1.CCCOCc1coc2ccccc12.CCCOCc1cscc1C.CCOCc1c[nH]c2ccccc12.CCOCc1ccc(C)o1.CCOCc1ccoc1.CCOCc1csc(C)c1
InChIInChI=1S/C12H15NO.C12H14O2.C11H13NO.C9H14OS.2C8H12O2.C8H12OS.C7H10O2.C6H14O2/c1-2-7-14-9-10-8-13-12-6-4-3-5-11(10)12;1-2-7-13-8-10-9-14-12-6-4-3-5-11(10)12;1-2-13-8-9-7-12-11-6-4-3-5-10(9)11;1-3-4-10-5-9-7-11-6-8(9)2;1-3-9-6-8-5-4-7(2)10-8;1-2-4-9-6-8-3-5-10-7-8;1-3-9-5-8-4-7(2)10-6-8;1-2-8-5-7-3-4-9-6-7;1-3-4-8-6-5-7-2/h3-6,8,13H,2,7,9H2,1H3;3-6,9H,2,7-8H2,1H3;3-7,12H,2,8H2,1H3;6-7H,3-5H2,1-2H3;4-5H,3,6H2,1-2H3;3,5,7H,2,4,6H2,1H3;4,6H,3,5H2,1-2H3;3-4,6H,2,5H2,1H3;3-6H2,1-2H3
InChIKeyVYEFDELKYJUDPJ-UHFFFAOYSA-N
MW1405.95 g/mol
LogP21.94
Rot. Bonds33

About 3-(ethoxymethyl)furan;3-(ethoxymethyl)-1H-indole;2-(ethoxymethyl)-5-methylfuran;4-(ethoxymethyl)-2-methylthiophene;1-(2-methoxyethoxy)propane;3-methyl-4-(propoxymethyl)thiophene;3-(propoxymethyl)-1-benzofuran;3-(propoxymethyl)furan;3-(propoxymethyl)-1H-indole

3-(ethoxymethyl)furan;3-(ethoxymethyl)-1H-indole;2-(ethoxymethyl)-5-methylfuran;4-(ethoxymethyl)-2-methylthiophene;1-(2-methoxyethoxy)propane;3-methyl-4-(propoxymethyl)thiophene;3-(propoxymethyl)-1-benzofuran;3-(propoxymethyl)furan;3-(propoxymethyl)-1H-indole (PubChem CID 161432227) has the molecular formula C81H116N2O14S2 and a molecular weight of 1405.95 g/mol. Its IUPAC name is 3-(ethoxymethyl)furan;3-(ethoxymethyl)-1H-indole;2-(ethoxymethyl)-5-methylfuran;4-(ethoxymethyl)-2-methylthiophene;1-(2-methoxyethoxy)propane;3-methyl-4-(propoxymethyl)thiophene;3-(propoxymethyl)-1-benzofuran;3-(propoxymethyl)furan;3-(propoxymethyl)-1H-indole.

Molecular Properties

Compound Name3-(ethoxymethyl)furan;3-(ethoxymethyl)-1H-indole;2-(ethoxymethyl)-5-methylfuran;4-(ethoxymethyl)-2-methylthiophene;1-(2-methoxyethoxy)propane;3-methyl-4-(propoxymethyl)thiophene;3-(propoxymethyl)-1-benzofuran;3-(propoxymethyl)furan;3-(propoxymethyl)-1H-indole
PubChem CID161432227
Molecular FormulaC81H116N2O14S2
Molecular Weight1405.95 g/mol
Exact Mass1404.79
IUPAC Name3-(ethoxymethyl)furan;3-(ethoxymethyl)-1H-indole;2-(ethoxymethyl)-5-methylfuran;4-(ethoxymethyl)-2-methylthiophene;1-(2-methoxyethoxy)propane;3-methyl-4-(propoxymethyl)thiophene;3-(propoxymethyl)-1-benzofuran;3-(propoxymethyl)furan;3-(propoxymethyl)-1H-indole
SMILESCCCOCCOC.CCCOCc1c[nH]c2ccccc12.CCCOCc1ccoc1.CCCOCc1coc2ccccc12.CCCOCc1cscc1C.CCOCc1c[nH]c2ccccc12.CCOCc1ccc(C)o1.CCOCc1ccoc1.CCOCc1csc(C)c1
InChIInChI=1S/C12H15NO.C12H14O2.C11H13NO.C9H14OS.2C8H12O2.C8H12OS.C7H10O2.C6H14O2/c1-2-7-14-9-10-8-13-12-6-4-3-5-11(10)12;1-2-7-13-8-10-9-14-12-6-4-3-5-11(10)12;1-2-13-8-9-7-12-11-6-4-3-5-10(9)11;1-3-4-10-5-9-7-11-6-8(9)2;1-3-9-6-8-5-4-7(2)10-8;1-2-4-9-6-8-3-5-10-7-8;1-3-9-5-8-4-7(2)10-6-8;1-2-8-5-7-3-4-9-6-7;1-3-4-8-6-5-7-2/h3-6,8,13H,2,7,9H2,1H3;3-6,9H,2,7-8H2,1H3;3-7,12H,2,8H2,1H3;6-7H,3-5H2,1-2H3;4-5H,3,6H2,1-2H3;3,5,7H,2,4,6H2,1H3;4,6H,3,5H2,1-2H3;3-4,6H,2,5H2,1H3;3-6H2,1-2H3
InChIKeyVYEFDELKYJUDPJ-UHFFFAOYSA-N
XLogP21.94
TPSA176.44 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds33
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001405.95
LogP ≤ 521.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 3-(ethoxymethyl)furan;3-(ethoxymethyl)-1H-indole;2-(ethoxymethyl)-5-methylfuran;4-(ethoxymethyl)-2-methylthiophene;1-(2-methoxyethoxy)propane;3-methyl-4-(propoxymethyl)thiophene;3-(propoxymethyl)-1-benzofuran;3-(propoxymethyl)furan;3-(propoxymethyl)-1H-indole with MolForge

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Related Compounds

1-benzofuran;1-benzothiophene;1H-indole
CID 67462302
1-(furan-2-yl)-2-[3-(1-methylpyrrolidin-3-yl)-1H-indol-5-yl]ethanimine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohexan-1-amine;4-[5-(2-imino-2-thiophen-2-ylethyl)-1H-indol-3-yl]-N,N-dimethylcyclohex-3-en-1-amine
CID 123653830
2-[3-(1-benzofuran-2-yl)-4-(furan-2-yl)-6-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1-benzothiophen-5-yl]-1H-indole
CID 141050660
5-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-6-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole
CID 141178228
2-[4-(1-benzofuran-2-yl)-2,3-bis(furan-2-yl)-6-(1H-pyrrol-2-yl)-5,6-dithiophen-2-ylcyclohexa-1,3-dien-1-yl]-1H-indole
CID 141204914
1-benzofuran;1-benzothiophene;5,6-dihydro-4H-1,3-thiazine;1,4-dioxane;1,4-dithiane;ethane;1H-indole;indolizine;thiomorpholine
CID 157124936
1-benzofuran;1-benzothiophene;cyclopentane;ethane;1H-indole;octakis(2-methylpropane);oxane;propan-2-ylcyclopropane;pyrrolidine;1,2,3,4-tetrahydroquinoline;thiophene;2,2,3-trimethylbutane
CID 157179621
2,1,3-benzothiadiazole;1-benzothiophene;9H-carbazole;4H-cyclopenta[b]furan;dibenzofuran;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;thieno[3,2-b]furan;thieno[3,2-b]thiophene
CID 157220917
2,1,3-benzothiadiazole;1-benzothiophene;9H-carbazole;4H-cyclopenta[b]furan;dibenzofuran;dibenzothiophene;1,4-dihydrocyclopenta[b]pyrrole;furo[3,2-b]furan;thieno[3,2-b]furan;thieno[3,2-b]thiophene
CID 157228594
2-[4-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)furan-2-yl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-2-pyridinyl]-3,1-benzoxazin-4-one;2-[6-(4-oxo-3,1-benzoxazin-2-yl)-3-pyridinyl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one;2-[4-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]-3,1-benzoxazin-4-one
CID 157277033
benzene;1-benzofuran;2-benzofuran;1-benzothiophene;2-benzothiophene;furan;1H-indole;2H-isoindole;naphthalene;1H-pyrrole;thiophene
CID 157421849
benzene;1-benzofuran;1-benzothiophene;ethane;furan;1H-indole;pyridine;1H-pyrrole;thiophene
CID 157845130

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)furan;3-(ethoxymethyl)-1H-indole;2-(ethoxymethyl)-5-methylfuran;4-(ethoxymethyl)-2-methylthiophene;1-(2-methoxyethoxy)propane;3-methyl-4-(propoxymethyl)thiophene;3-(propoxymethyl)-1-benzofuran;3-(propoxymethyl)furan;3-(propoxymethyl)-1H-indole?
The IUPAC name of 3-(ethoxymethyl)furan;3-(ethoxymethyl)-1H-indole;2-(ethoxymethyl)-5-methylfuran;4-(ethoxymethyl)-2-methylthiophene;1-(2-methoxyethoxy)propane;3-methyl-4-(propoxymethyl)thiophene;3-(propoxymethyl)-1-benzofuran;3-(propoxymethyl)furan;3-(propoxymethyl)-1H-indole (CID 161432227) is 3-(ethoxymethyl)furan;3-(ethoxymethyl)-1H-indole;2-(ethoxymethyl)-5-methylfuran;4-(ethoxymethyl)-2-methylthiophene;1-(2-methoxyethoxy)propane;3-methyl-4-(propoxymethyl)thiophene;3-(propoxymethyl)-1-benzofuran;3-(propoxymethyl)furan;3-(propoxymethyl)-1H-indole.
What is the SMILES notation for 3-(ethoxymethyl)furan;3-(ethoxymethyl)-1H-indole;2-(ethoxymethyl)-5-methylfuran;4-(ethoxymethyl)-2-methylthiophene;1-(2-methoxyethoxy)propane;3-methyl-4-(propoxymethyl)thiophene;3-(propoxymethyl)-1-benzofuran;3-(propoxymethyl)furan;3-(propoxymethyl)-1H-indole?
The canonical SMILES for 3-(ethoxymethyl)furan;3-(ethoxymethyl)-1H-indole;2-(ethoxymethyl)-5-methylfuran;4-(ethoxymethyl)-2-methylthiophene;1-(2-methoxyethoxy)propane;3-methyl-4-(propoxymethyl)thiophene;3-(propoxymethyl)-1-benzofuran;3-(propoxymethyl)furan;3-(propoxymethyl)-1H-indole is CCCOCCOC.CCCOCc1c[nH]c2ccccc12.CCCOCc1ccoc1.CCCOCc1coc2ccccc12.CCCOCc1cscc1C.CCOCc1c[nH]c2ccccc12.CCOCc1ccc(C)o1.CCOCc1ccoc1.CCOCc1csc(C)c1.
What is the InChIKey of 3-(ethoxymethyl)furan;3-(ethoxymethyl)-1H-indole;2-(ethoxymethyl)-5-methylfuran;4-(ethoxymethyl)-2-methylthiophene;1-(2-methoxyethoxy)propane;3-methyl-4-(propoxymethyl)thiophene;3-(propoxymethyl)-1-benzofuran;3-(propoxymethyl)furan;3-(propoxymethyl)-1H-indole?
The InChIKey is VYEFDELKYJUDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.C12H14O2.C11H13NO.C9H14OS.2C8H12O2.C8H12OS.C7H10O2.C6H14O2/c1-2-7-14-9-10-8-13-12-6-4-3-5-11(10)12;1-2-7-13-8-10-9-14-12-6-4-3-5-11(10)12;1-2-13-8-9-7-12-11-6-4-3-5-10(9)11;1-3-4-10-5-9-7-11-6-8(9)2;1-3-9-6-8-5-4-7(2)10-8;1-2-4-9-6-8-3-5-10-7-8;1-3-9-5-8-4-7(2)10-6-8;1-2-8-5-7-3-4-9-6-7;1-3-4-8-6-5-7-2/h3-6,8,13H,2,7,9H2,1H3;3-6,9H,2,7-8H2,1H3;3-7,12H,2,8H2,1H3;6-7H,3-5H2,1-2H3;4-5H,3,6H2,1-2H3;3,5,7H,2,4,6H2,1H3;4,6H,3,5H2,1-2H3;3-4,6H,2,5H2,1H3;3-6H2,1-2H3.
What are the key properties of 3-(ethoxymethyl)furan;3-(ethoxymethyl)-1H-indole;2-(ethoxymethyl)-5-methylfuran;4-(ethoxymethyl)-2-methylthiophene;1-(2-methoxyethoxy)propane;3-methyl-4-(propoxymethyl)thiophene;3-(propoxymethyl)-1-benzofuran;3-(propoxymethyl)furan;3-(propoxymethyl)-1H-indole?
3-(ethoxymethyl)furan;3-(ethoxymethyl)-1H-indole;2-(ethoxymethyl)-5-methylfuran;4-(ethoxymethyl)-2-methylthiophene;1-(2-methoxyethoxy)propane;3-methyl-4-(propoxymethyl)thiophene;3-(propoxymethyl)-1-benzofuran;3-(propoxymethyl)furan;3-(propoxymethyl)-1H-indole has a molecular weight of 1405.95 g/mol, XLogP of 21.94, 33 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)furan;3-(ethoxymethyl)-1H-indole;2-(ethoxymethyl)-5-methylfuran;4-(ethoxymethyl)-2-methylthiophene;1-(2-methoxyethoxy)propane;3-methyl-4-(propoxymethyl)thiophene;3-(propoxymethyl)-1-benzofuran;3-(propoxymethyl)furan;3-(propoxymethyl)-1H-indole is sourced from PubChem (CID 161432227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).