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

C18H19NO3 — CID 931244

IUPAC1-[5-ethoxy-1-(furan-2-ylmethyl)-2-methylindol-3-yl]ethanone
SMILESCCOc1ccc2c(c1)c(C(C)=O)c(C)n2Cc1ccco1
InChIInChI=1S/C18H19NO3/c1-4-21-14-7-8-17-16(10-14)18(13(3)20)12(2)19(17)11-15-6-5-9-22-15/h5-10H,4,11H2,1-3H3
InChIKeyYLKCOZWAUYCKGB-UHFFFAOYSA-N
MW297.35 g/mol
LogP4.19
Rot. Bonds5

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

1-[5-ethoxy-1-(furan-2-ylmethyl)-2-methylindol-3-yl]ethanone (PubChem CID 931244) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-[5-ethoxy-1-(furan-2-ylmethyl)-2-methylindol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-ethoxy-1-(furan-2-ylmethyl)-2-methylindol-3-yl]ethanone
PubChem CID931244
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name1-[5-ethoxy-1-(furan-2-ylmethyl)-2-methylindol-3-yl]ethanone
SMILESCCOc1ccc2c(c1)c(C(C)=O)c(C)n2Cc1ccco1
InChIInChI=1S/C18H19NO3/c1-4-21-14-7-8-17-16(10-14)18(13(3)20)12(2)19(17)11-15-6-5-9-22-15/h5-10H,4,11H2,1-3H3
InChIKeyYLKCOZWAUYCKGB-UHFFFAOYSA-N
XLogP4.19
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-ethoxy-1-(furan-2-ylmethyl)-2-methylindol-3-yl]ethanone?
The IUPAC name of 1-[5-ethoxy-1-(furan-2-ylmethyl)-2-methylindol-3-yl]ethanone (CID 931244) is 1-[5-ethoxy-1-(furan-2-ylmethyl)-2-methylindol-3-yl]ethanone.
What is the SMILES notation for 1-[5-ethoxy-1-(furan-2-ylmethyl)-2-methylindol-3-yl]ethanone?
The canonical SMILES for 1-[5-ethoxy-1-(furan-2-ylmethyl)-2-methylindol-3-yl]ethanone is CCOc1ccc2c(c1)c(C(C)=O)c(C)n2Cc1ccco1.
What is the InChIKey of 1-[5-ethoxy-1-(furan-2-ylmethyl)-2-methylindol-3-yl]ethanone?
The InChIKey is YLKCOZWAUYCKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-4-21-14-7-8-17-16(10-14)18(13(3)20)12(2)19(17)11-15-6-5-9-22-15/h5-10H,4,11H2,1-3H3.
What are the key properties of 1-[5-ethoxy-1-(furan-2-ylmethyl)-2-methylindol-3-yl]ethanone?
1-[5-ethoxy-1-(furan-2-ylmethyl)-2-methylindol-3-yl]ethanone has a molecular weight of 297.35 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethoxy-1-(furan-2-ylmethyl)-2-methylindol-3-yl]ethanone is sourced from PubChem (CID 931244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).