1-(1H-indol-3-yl)-2-phenoxyethanone

C16H13NO2 — CID 2219527

IUPAC1-(1H-indol-3-yl)-2-phenoxyethanone
SMILESO=C(COc1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H13NO2/c18-16(11-19-12-6-2-1-3-7-12)14-10-17-15-9-5-4-8-13(14)15/h1-10,17H,11H2
InChIKeyUFIMAFZPAYONGW-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.43
Rot. Bonds4

About 1-(1H-indol-3-yl)-2-phenoxyethanone

1-(1H-indol-3-yl)-2-phenoxyethanone (PubChem CID 2219527) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-phenoxyethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-phenoxyethanone
PubChem CID2219527
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name1-(1H-indol-3-yl)-2-phenoxyethanone
SMILESO=C(COc1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H13NO2/c18-16(11-19-12-6-2-1-3-7-12)14-10-17-15-9-5-4-8-13(14)15/h1-10,17H,11H2
InChIKeyUFIMAFZPAYONGW-UHFFFAOYSA-N
XLogP3.43
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-phenoxyethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-phenoxyethanone (CID 2219527) is 1-(1H-indol-3-yl)-2-phenoxyethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-phenoxyethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-phenoxyethanone is O=C(COc1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)-2-phenoxyethanone?
The InChIKey is UFIMAFZPAYONGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-16(11-19-12-6-2-1-3-7-12)14-10-17-15-9-5-4-8-13(14)15/h1-10,17H,11H2.
What are the key properties of 1-(1H-indol-3-yl)-2-phenoxyethanone?
1-(1H-indol-3-yl)-2-phenoxyethanone has a molecular weight of 251.28 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-phenoxyethanone is sourced from PubChem (CID 2219527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).