(5-methoxyindol-1-yl)-phenylmethanone

C16H13NO2 — CID 11817588

IUPAC(5-methoxyindol-1-yl)-phenylmethanone
SMILESCOc1ccc2c(ccn2C(=O)c2ccccc2)c1
InChIInChI=1S/C16H13NO2/c1-19-14-7-8-15-13(11-14)9-10-17(15)16(18)12-5-3-2-4-6-12/h2-11H,1H3
InChIKeyGQERXICLDNNQLW-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.34
Rot. Bonds2

About (5-methoxyindol-1-yl)-phenylmethanone

(5-methoxyindol-1-yl)-phenylmethanone (PubChem CID 11817588) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is (5-methoxyindol-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-methoxyindol-1-yl)-phenylmethanone
PubChem CID11817588
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name(5-methoxyindol-1-yl)-phenylmethanone
SMILESCOc1ccc2c(ccn2C(=O)c2ccccc2)c1
InChIInChI=1S/C16H13NO2/c1-19-14-7-8-15-13(11-14)9-10-17(15)16(18)12-5-3-2-4-6-12/h2-11H,1H3
InChIKeyGQERXICLDNNQLW-UHFFFAOYSA-N
XLogP3.34
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methoxyindol-1-yl)-phenylmethanone?
The IUPAC name of (5-methoxyindol-1-yl)-phenylmethanone (CID 11817588) is (5-methoxyindol-1-yl)-phenylmethanone.
What is the SMILES notation for (5-methoxyindol-1-yl)-phenylmethanone?
The canonical SMILES for (5-methoxyindol-1-yl)-phenylmethanone is COc1ccc2c(ccn2C(=O)c2ccccc2)c1.
What is the InChIKey of (5-methoxyindol-1-yl)-phenylmethanone?
The InChIKey is GQERXICLDNNQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-19-14-7-8-15-13(11-14)9-10-17(15)16(18)12-5-3-2-4-6-12/h2-11H,1H3.
What are the key properties of (5-methoxyindol-1-yl)-phenylmethanone?
(5-methoxyindol-1-yl)-phenylmethanone has a molecular weight of 251.28 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxyindol-1-yl)-phenylmethanone is sourced from PubChem (CID 11817588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).