2-ethylfuran;3-ethylfuran;4-ethylpyridine;2-ethylthiophene;3-ethylthiophene;2-methylfuran;3-methylfuran;2-methylthiophene;3-methylthiophene;1-phenylpropan-1-one

C60H75NO5S4 — CID 158464918

IUPAC2-ethylfuran;3-ethylfuran;4-ethylpyridine;2-ethylthiophene;3-ethylthiophene;2-methylfuran;3-methylfuran;2-methylthiophene;3-methylthiophene;1-phenylpropan-1-one
SMILESCCC(=O)c1ccccc1.CCc1ccco1.CCc1cccs1.CCc1ccncc1.CCc1ccoc1.CCc1ccsc1.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccsc1
InChIInChI=1S/C9H10O.C7H9N.2C6H8O.2C6H8S.2C5H6O.2C5H6S/c1-2-9(10)8-6-4-3-5-7-8;1-2-7-3-5-8-6-4-7;1-2-6-3-4-7-5-6;1-2-6-4-3-5-7-6;1-2-6-3-4-7-5-6;1-2-6-4-3-5-7-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5/h3-7H,2H2,1H3;3-6H,2H2,1H3;4*3-5H,2H2,1H3;4*2-4H,1H3
InChIKeyHFQCNXDDTXLQPO-UHFFFAOYSA-N
MW1018.53 g/mol
LogP19.52
Rot. Bonds7

About 2-ethylfuran;3-ethylfuran;4-ethylpyridine;2-ethylthiophene;3-ethylthiophene;2-methylfuran;3-methylfuran;2-methylthiophene;3-methylthiophene;1-phenylpropan-1-one

2-ethylfuran;3-ethylfuran;4-ethylpyridine;2-ethylthiophene;3-ethylthiophene;2-methylfuran;3-methylfuran;2-methylthiophene;3-methylthiophene;1-phenylpropan-1-one (PubChem CID 158464918) has the molecular formula C60H75NO5S4 and a molecular weight of 1018.53 g/mol. Its IUPAC name is 2-ethylfuran;3-ethylfuran;4-ethylpyridine;2-ethylthiophene;3-ethylthiophene;2-methylfuran;3-methylfuran;2-methylthiophene;3-methylthiophene;1-phenylpropan-1-one.

Molecular Properties

Compound Name2-ethylfuran;3-ethylfuran;4-ethylpyridine;2-ethylthiophene;3-ethylthiophene;2-methylfuran;3-methylfuran;2-methylthiophene;3-methylthiophene;1-phenylpropan-1-one
PubChem CID158464918
Molecular FormulaC60H75NO5S4
Molecular Weight1018.53 g/mol
Exact Mass1017.45
IUPAC Name2-ethylfuran;3-ethylfuran;4-ethylpyridine;2-ethylthiophene;3-ethylthiophene;2-methylfuran;3-methylfuran;2-methylthiophene;3-methylthiophene;1-phenylpropan-1-one
SMILESCCC(=O)c1ccccc1.CCc1ccco1.CCc1cccs1.CCc1ccncc1.CCc1ccoc1.CCc1ccsc1.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccsc1
InChIInChI=1S/C9H10O.C7H9N.2C6H8O.2C6H8S.2C5H6O.2C5H6S/c1-2-9(10)8-6-4-3-5-7-8;1-2-7-3-5-8-6-4-7;1-2-6-3-4-7-5-6;1-2-6-4-3-5-7-6;1-2-6-3-4-7-5-6;1-2-6-4-3-5-7-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5/h3-7H,2H2,1H3;3-6H,2H2,1H3;4*3-5H,2H2,1H3;4*2-4H,1H3
InChIKeyHFQCNXDDTXLQPO-UHFFFAOYSA-N
XLogP19.52
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001018.53
LogP ≤ 519.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-ethylfuran;3-ethylfuran;4-ethylpyridine;2-ethylthiophene;3-ethylthiophene;2-methylfuran;3-methylfuran;2-methylthiophene;3-methylthiophene;1-phenylpropan-1-one with MolForge

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Related Compounds

4-(Furan-2-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423834
4-(Furan-2-yl)-2-pyridin-3-yl-6-thiophen-2-ylpyridine
CID 44423836
4-[2-(4-Fluorophenyl)-5-(furan-2-yl)thiophen-3-yl]pyridine
CID 118903766
[5-(4-Fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]-(furan-2-yl)methanone
CID 118911854
4-Furan-2-yl-2-thiophen-2-yl-pyridine
CID 44276312
3-[(2-Furylmethyl)sulfanyl]-3-(4-methoxyphenyl)-1-(4-pyridinyl)-1-propanone
CID 4243995
4-[4-[2-(2-Ethyl-1-benzofuran-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]pyridine
CID 102583654
4-(2-Fluoropyridin-3-yl)-5-[(2-methylfuran-3-yl)thio]thiophene-2-carbaldehyde
CID 86631604
4-[2-(4-Fluorophenyl)-5-(furan-2-ylmethyl)thiophen-3-yl]pyridine
CID 118903778
[5-[4-(Furan-2-yl)-3-pyridinyl]thiophen-2-yl]methanamine
CID 145946571
bis(1,2-dimethylcyclopenta-1,3-diene);2,3-dimethylpyridine;2,3-dimethylthiophene;2,3-dimethyl-5-(trifluoromethyl)furan;1,2,4-trimethylcyclopenta-1,3-diene;bis(2,4,5-trimethyl-3H-pyrrole);1,2-xylene
CID 157623286
1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 173276114

Frequently Asked Questions

What is the IUPAC name of 2-ethylfuran;3-ethylfuran;4-ethylpyridine;2-ethylthiophene;3-ethylthiophene;2-methylfuran;3-methylfuran;2-methylthiophene;3-methylthiophene;1-phenylpropan-1-one?
The IUPAC name of 2-ethylfuran;3-ethylfuran;4-ethylpyridine;2-ethylthiophene;3-ethylthiophene;2-methylfuran;3-methylfuran;2-methylthiophene;3-methylthiophene;1-phenylpropan-1-one (CID 158464918) is 2-ethylfuran;3-ethylfuran;4-ethylpyridine;2-ethylthiophene;3-ethylthiophene;2-methylfuran;3-methylfuran;2-methylthiophene;3-methylthiophene;1-phenylpropan-1-one.
What is the SMILES notation for 2-ethylfuran;3-ethylfuran;4-ethylpyridine;2-ethylthiophene;3-ethylthiophene;2-methylfuran;3-methylfuran;2-methylthiophene;3-methylthiophene;1-phenylpropan-1-one?
The canonical SMILES for 2-ethylfuran;3-ethylfuran;4-ethylpyridine;2-ethylthiophene;3-ethylthiophene;2-methylfuran;3-methylfuran;2-methylthiophene;3-methylthiophene;1-phenylpropan-1-one is CCC(=O)c1ccccc1.CCc1ccco1.CCc1cccs1.CCc1ccncc1.CCc1ccoc1.CCc1ccsc1.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccsc1.
What is the InChIKey of 2-ethylfuran;3-ethylfuran;4-ethylpyridine;2-ethylthiophene;3-ethylthiophene;2-methylfuran;3-methylfuran;2-methylthiophene;3-methylthiophene;1-phenylpropan-1-one?
The InChIKey is HFQCNXDDTXLQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.C7H9N.2C6H8O.2C6H8S.2C5H6O.2C5H6S/c1-2-9(10)8-6-4-3-5-7-8;1-2-7-3-5-8-6-4-7;1-2-6-3-4-7-5-6;1-2-6-4-3-5-7-6;1-2-6-3-4-7-5-6;1-2-6-4-3-5-7-6;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5/h3-7H,2H2,1H3;3-6H,2H2,1H3;4*3-5H,2H2,1H3;4*2-4H,1H3.
What are the key properties of 2-ethylfuran;3-ethylfuran;4-ethylpyridine;2-ethylthiophene;3-ethylthiophene;2-methylfuran;3-methylfuran;2-methylthiophene;3-methylthiophene;1-phenylpropan-1-one?
2-ethylfuran;3-ethylfuran;4-ethylpyridine;2-ethylthiophene;3-ethylthiophene;2-methylfuran;3-methylfuran;2-methylthiophene;3-methylthiophene;1-phenylpropan-1-one has a molecular weight of 1018.53 g/mol, XLogP of 19.52, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylfuran;3-ethylfuran;4-ethylpyridine;2-ethylthiophene;3-ethylthiophene;2-methylfuran;3-methylfuran;2-methylthiophene;3-methylthiophene;1-phenylpropan-1-one is sourced from PubChem (CID 158464918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).