1-[1-(furan-2-ylmethyl)-5-hydroxy-2-methylindol-3-yl]ethanone

C16H15NO3 — CID 557416

IUPAC1-[1-(furan-2-ylmethyl)-5-hydroxy-2-methylindol-3-yl]ethanone
SMILESCC(=O)c1c(C)n(Cc2ccco2)c2ccc(O)cc12
InChIInChI=1S/C16H15NO3/c1-10-16(11(2)18)14-8-12(19)5-6-15(14)17(10)9-13-4-3-7-20-13/h3-8,19H,9H2,1-2H3
InChIKeyCBJCIYFHBWSWOD-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.50
Rot. Bonds3

About 1-[1-(furan-2-ylmethyl)-5-hydroxy-2-methylindol-3-yl]ethanone

1-[1-(furan-2-ylmethyl)-5-hydroxy-2-methylindol-3-yl]ethanone (PubChem CID 557416) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1-[1-(furan-2-ylmethyl)-5-hydroxy-2-methylindol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(furan-2-ylmethyl)-5-hydroxy-2-methylindol-3-yl]ethanone
PubChem CID557416
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name1-[1-(furan-2-ylmethyl)-5-hydroxy-2-methylindol-3-yl]ethanone
SMILESCC(=O)c1c(C)n(Cc2ccco2)c2ccc(O)cc12
InChIInChI=1S/C16H15NO3/c1-10-16(11(2)18)14-8-12(19)5-6-15(14)17(10)9-13-4-3-7-20-13/h3-8,19H,9H2,1-2H3
InChIKeyCBJCIYFHBWSWOD-UHFFFAOYSA-N
XLogP3.50
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-ylmethyl)-5-hydroxy-2-methylindol-3-yl]ethanone?
The IUPAC name of 1-[1-(furan-2-ylmethyl)-5-hydroxy-2-methylindol-3-yl]ethanone (CID 557416) is 1-[1-(furan-2-ylmethyl)-5-hydroxy-2-methylindol-3-yl]ethanone.
What is the SMILES notation for 1-[1-(furan-2-ylmethyl)-5-hydroxy-2-methylindol-3-yl]ethanone?
The canonical SMILES for 1-[1-(furan-2-ylmethyl)-5-hydroxy-2-methylindol-3-yl]ethanone is CC(=O)c1c(C)n(Cc2ccco2)c2ccc(O)cc12.
What is the InChIKey of 1-[1-(furan-2-ylmethyl)-5-hydroxy-2-methylindol-3-yl]ethanone?
The InChIKey is CBJCIYFHBWSWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-10-16(11(2)18)14-8-12(19)5-6-15(14)17(10)9-13-4-3-7-20-13/h3-8,19H,9H2,1-2H3.
What are the key properties of 1-[1-(furan-2-ylmethyl)-5-hydroxy-2-methylindol-3-yl]ethanone?
1-[1-(furan-2-ylmethyl)-5-hydroxy-2-methylindol-3-yl]ethanone has a molecular weight of 269.30 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-ylmethyl)-5-hydroxy-2-methylindol-3-yl]ethanone is sourced from PubChem (CID 557416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).